# Install inchi with Homebrew, apt, dnf, Nix, pacman, zypper, MacPorts IUPAC International Chemical Identifier. Version 1.07.5 via Homebrew; verified from local package data. ## Install ```sh sudo av install brew:inchi ``` Additional install commands: ### macOS - Homebrew (100%): ```sh brew install inchi ``` Evidence: local Homebrew formula metadata - MacPorts (94%): ```sh sudo port install inchi-1 ``` Evidence: MacPorts ports tree: science/inchi-1/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1 ### Linux - Debian apt (92%): ```sh sudo apt install libinchi-bin ``` Evidence: Debian stable package indexes: libinchi-bin from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz - dnf (92%): ```sh sudo dnf install inchi ``` Evidence: Fedora Rawhide package metadata: inchi from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst - Nix (92%): ```sh nix profile install nixpkgs#inchi ``` Evidence: nixpkgs package indexes: pkgs/by-name/in/inchi/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - pacman (92%): ```sh sudo pacman -S inchi ``` Evidence: Arch Linux sync databases: inchi from https://geo.mirror.pkgbuild.com/extra/os/x86_64/extra.db.tar.gz - zypper (92%): ```sh sudo zypper install inchi ``` Evidence: openSUSE Tumbleweed package metadata: inchi from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst ## Package facts - **Package key:** brew:inchi - **Package manager:** Homebrew - **Package manager page:** - **Version:** 1.07.5 - **Source summary:** IUPAC International Chemical Identifier - **Homepage:** - **Repository:** - **Upstream docs:** - **License:** MIT - **Source archive:** - **Generated:** 2026-07-08T07:18:31+00:00 ## Executables - inchi-1 (cli) - inchi_main (cli) - inchi-1 (alias) - inchi_main (alias) ## Build dependencies - cmake ## Install behavior - Post-install hook: not defined - Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux ## Freshness - Page generated: 2026-07-08 - Package-manager version: 1.07.5 - Local data: ok - Upstream repository: https://github.com/IUPAC-InChI/InChI - Upstream latest detected: v1.07.5 (current) - info: No package-manager update timestamp was available. ## Project history and usage InChI is the IUPAC International Chemical Identifier and its package provides command-line software for generating structure-based chemical identifiers. It is both a chemistry standard and a practical CLI used by cheminformatics databases, toolkits, and data pipelines. ### Project history IUPAC's Chemistry International announced version 1.0 of InChI in April 2005, with software, documentation, source code, and licensing available from IUPAC. The release framed InChI as a unique molecular label derived from layered chemical information such as connectivity, tautomerism, isotopes, stereochemistry, and charge. The InChI Trust's history records the Standard InChI and InChIKey release in January 2009 and the formation of the InChI Trust in July 2009. Later releases expanded the software around certification, Reaction InChI, polymer and pseudo-atom support, and new extension work. In 2024 the core code and development framework moved to GitHub. IUPAC and the InChI Trust described the 1.07 line as a milestone for sustainable open development, wider contribution, MIT licensing, and future extensions for inorganic, organometallic, mixtures, and reactions work. ### Adoption history The InChI Trust describes InChI as a standard identifier for chemical databases and says it is used by most large chemical databases and software applications handling many millions of chemical structures. Its adoption is tied to the need for stable, machine-readable identifiers that can link chemistry data across databases and the web. Package-manager adoption is broad for a scientific command-line tool: the batch metadata lists Homebrew, Debian, Fedora, MacPorts, Nix, Arch, Ubuntu, and openSUSE packages. That breadth reflects InChI's role as infrastructure underneath cheminformatics applications rather than a standalone end-user app. ### How it is used The CLI tools generate InChI strings and InChIKeys from chemical structure input. They are used in database normalization, deduplication, search indexing, data exchange, laboratory inventory workflows, and package tests for chemistry software that embeds or shells out to the reference implementation. InChIKey's shorter hashed representation is used where full InChI strings are awkward for search engines and database indexes, while the full InChI retains the layered chemical identity information. ### Why package nerds care For package maintainers, InChI is a rare case where a formal scientific identifier standard ships as a small command-line package. It matters because reproducible chemistry data depends on everyone using the same reference algorithm, versioned source, and testable binaries. The move to GitHub made the package easier to audit and integrate into ordinary open-source workflows, while preserving the standards governance role of IUPAC and the InChI Trust. ### Timeline - 2005: InChI 1.0 released by IUPAC. - 2009: Standard InChI and InChIKey released; InChI Trust formed. - 2011: InChI 1.04 and the InChI Certification Suite released. - 2017: InChI 1.05 and Reaction InChI 1.0 released. - 2020: InChI 1.06 released with pseudo-atom and polymer-oriented improvements. - 2024: InChI 1.07 development moved to GitHub with MIT licensing. ### Related projects - RInChI extends the identifier idea to chemical reactions. - SMILES, PubChem, ChemSpider, ChEMBL, chemistry toolkits, and database indexing systems are adjacent technologies and adoption surfaces. ### Sources - - - - - - - - input.json source_facts.package-manager ## Security Notes narrow executable package without higher-risk signals. - **Geiger risk:** green / low - narrow executable package without higher-risk signals ## Source Database Details - **Source Database:** Homebrew formula API - **Tap:** homebrew/core - **Full Name:** inchi - **Version Scheme:** 0 - **Revision:** 0 - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** stable ## Other Package-Manager Records - Debian apt - libinchi-bin - 1.07.3+dfsg-1: normalized package name match | Debian stable package indexes: libinchi-bin from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | International Chemical Identifier (InChI) algorithm (executable) | https://www.inchi-trust.org - Debian apt - libinchi-dev - 1.07.3+dfsg-1: normalized package name match | Debian stable package indexes: libinchi-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | International Chemical Identifier (InChI) algorithm (development files) | https://www.inchi-trust.org - Debian apt - libinchi1.07 - 1.07.3+dfsg-1: normalized package name match | Debian stable package indexes: libinchi1.07 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | International Chemical Identifier (InChI) algorithm (library) | https://www.inchi-trust.org - Nix - inchi: normalized package name match | nixpkgs package indexes: pkgs/by-name/in/inchi/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - Ubuntu apt - libinchi-bin - 1.03+dfsg-4build1: normalized package name match | Ubuntu 24.04 LTS package indexes: libinchi-bin from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | International Chemical Identifier (InChI) algorithm (executable) | https://www.inchi-trust.org - Ubuntu apt - libinchi-dev - 1.03+dfsg-4build1: normalized package name match | Ubuntu 24.04 LTS package indexes: libinchi-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | International Chemical Identifier (InChI) algorithm (development files) | https://www.inchi-trust.org - Ubuntu apt - libinchi1 - 1.03+dfsg-4build1: normalized package name match | Ubuntu 24.04 LTS package indexes: libinchi1 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | International Chemical Identifier (InChI) algorithm (library) | https://www.inchi-trust.org - dnf - inchi - 1.0.6-14.fc44: normalized package name match | Fedora Rawhide package metadata: inchi from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst | The IUPAC International Chemical Identifier library | https://www.inchi-trust.org/about-the-inchi-standard/ - dnf - inchi-devel - 1.0.6-14.fc44: normalized package name match | Fedora Rawhide package metadata: inchi-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst | Development headers for the InChI library | https://www.inchi-trust.org/about-the-inchi-standard/ - dnf - inchi-doc - 1.0.6-14.fc44: normalized package name match | Fedora Rawhide package metadata: inchi-doc from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst | Documentation for the InChI library | https://www.inchi-trust.org/about-the-inchi-standard/ - dnf - inchi-libs - 1.0.6-14.fc44: normalized package name match | Fedora Rawhide package metadata: inchi-libs from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst | The IUPAC International Chemical Identifier library | https://www.inchi-trust.org/about-the-inchi-standard/ - pacman - inchi - 1.07.5-1: normalized package name match | Arch Linux sync databases: inchi from https://geo.mirror.pkgbuild.com/extra/os/x86_64/extra.db.tar.gz | The IUPAC International Chemical Identifier | https://github.com/IUPAC-InChI/InChI - zypper - inchi - 1.07.5-1.2: normalized package name match | openSUSE Tumbleweed package metadata: inchi from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst | The IUPAC International Chemical Identifier | https://www.inchi-trust.org/ - zypper - inchi-devel - 1.07.5-1.2: normalized package name match | openSUSE Tumbleweed package metadata: inchi-devel from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst | Development headers for the InChI library | https://www.inchi-trust.org/ - zypper - inchi-doc - 1.07.5-1.2: normalized package name match | openSUSE Tumbleweed package metadata: inchi-doc from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst | Documentation for the InChI library | https://www.inchi-trust.org/ - zypper - libinchi1 - 1.07.5-1.2: normalized package name match | openSUSE Tumbleweed package metadata: libinchi1 from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst | The IUPAC International Chemical Identifier library | https://www.inchi-trust.org/ ## Related links - [Terminal utility packages](https://www.automicvault.com/pkg/terminal-utilities/) - Matched terminal and command-line workflow metadata. - [Networking and protocol packages](https://www.automicvault.com/pkg/networking-protocol-tools/) - Matched network, protocol, or remote-service metadata. - [Scientific computing packages](https://www.automicvault.com/pkg/scientific-computing-tools/) - Matched scientific computing metadata. - [Homebrew utility packages](https://www.automicvault.com/pkg/brew-utility-packages/) - Matched Homebrew package provider. - [cmake](https://www.automicvault.com/pkg/brew/cmake/) - Build dependency declared by Homebrew. - [open-babel](https://www.automicvault.com/pkg/brew/open-babel/) - Popular package that depends on this formula. - [rdkit](https://www.automicvault.com/pkg/brew/rdkit/) - Popular package that depends on this formula. - [gabedit](https://www.automicvault.com/pkg/brew/gabedit/) - Shares av.db curated category or tags: chemistry, cli, science. - [packmol](https://www.automicvault.com/pkg/brew/packmol/) - Shares av.db curated category or tags: chemistry, cli, science. - [pymol](https://www.automicvault.com/pkg/brew/pymol/) - Shares av.db curated category or tags: chemistry, cli, science. - [aamath](https://www.automicvault.com/pkg/brew/aamath/) - Shares av.db curated category or tags: cli, science. - [abpoa](https://www.automicvault.com/pkg/brew/abpoa/) - Shares av.db curated category or tags: cli, science. - [abricate](https://www.automicvault.com/pkg/brew/abricate/) - Shares av.db curated category or tags: cli, science. - [abyss](https://www.automicvault.com/pkg/brew/abyss/) - Shares av.db curated category or tags: cli, science. ## Combined YAML source View the package source record on GitHub. [combined/inchi.yml](https://github.com/automic-vault/db/blob/main/combined/inchi.yml) ## Sources - Nucleus package database - Geiger risk classifier - package-page enrichment - curated package history - package version freshness - av.db category and tag curation - package relationship graph - external package-manager database matches - cross-ecosystem install command graph