macOS
Homebrewverified · 100%
brew install inchilocal Homebrew formula metadata
MacPortsverified · 94%
sudo port install inchi-1MacPorts ports tree · science/inchi-1/Portfile · source: api.github.com
brew
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
Additional install commands
Linux
Debian aptverified · 92%
sudo apt install libinchi-binDebian stable package indexes · libinchi-bin · source: deb.debian.org
Fedora dnfverified · 92%
sudo dnf install inchiFedora Rawhide package metadata · inchi · source: dl.fedoraproject.org
Nixverified · 92%
nix profile install nixpkgs#inchinixpkgs package indexes · pkgs/by-name/in/inchi/package.nix · source: api.github.com
Arch Linux pacmanverified · 92%
sudo pacman -S inchiArch Linux sync databases · inchi · source: geo.mirror.pkgbuild.com
openSUSE zypperverified · 92%
sudo zypper install inchiopenSUSE Tumbleweed package metadata · inchi · source: download.opensuse.org
overview
Package summary
IUPAC International Chemical Identifier
Project links
Commands and aliases
- inchi-1
- inchi_main
history
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
- https://api.github.com/repos/IUPAC-InChI/InChI/releases
- https://github.com/IUPAC-InChI/InChI
- https://publications.iupac.org/ci/2005/2704/july05.pdf
- https://www.inchi-trust.org/about-the-inchi-standard/
- https://www.inchi-trust.org/inchi-news-and-articles/
- https://www.inchi-trust.org/iupac-inchi-moves-to-github-to-support-sustainable-chemical-standards-development/
- https://www.inchi-trust.org/technical-faq/
- input.json source_facts.package-manager
security posture
Risk level: green
narrow executable package without higher-risk signals.
Risk classifier
green risk · low confidence · appliance
Why
- narrow executable package without higher-risk signals
Signals
- metadata:no-higher-risk-signals
Install behavior
- No Homebrew post-install hook is recorded in formula metadata.
- Homebrew bottle metadata is available for 6 platform targets.
- Build metadata lists 1 build dependencies.
Recommended review
Before unattended agent use, check whether the tool reads plaintext credentials, writes remote state, publishes artifacts, or shells out to plugins.
executables
Installed executables
| Command | Kind | Exposure | Note |
|---|---|---|---|
inchi-1 | cli | global executable | |
inchi_main | cli | global executable |
freshness
Version and freshness
These signals separate page generation age, package-manager activity, and upstream release comparison. Version lag is warned only when an evidence URL and comparable versions are present.
page generated2026-07-08
manager version1.07.5
manager updated
local dataok
upstreamcurrent
latest detectedv1.07.5
https://github.com/IUPAC-InChI/InChI
- infoNo package-manager update timestamp was available.low confidence
install metadata
Package metadata
| Package key | brew:inchi |
|---|---|
| Version | 1.07.5 |
| Package manager | Homebrew |
| Package manager page | https://formulae.brew.sh/formula/inchi |
| Homepage | https://www.inchi-trust.org/ |
| Repository | https://github.com/IUPAC-InChI/InChI |
| Upstream docs | https://inchi-trust.info/wp/downloads |
| License | MIT |
| Source archive | https://github.com/IUPAC-InChI/InChI/archive/refs/tags/v1.07.5.tar.gz |
| Build dependencies | cmake |
| Bottle | available (on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | not defined |
| Service | none declared |
registry facts
Source database details
| Source Database | Homebrew formula API |
|---|---|
| Tap | homebrew/core |
| Full Name | inchi |
| Version Scheme | 0 |
| Revision | 0 |
| Bottle Stable Root URL | https://ghcr.io/v2/homebrew/core |
| Deprecated | no |
| Disabled | no |
| Keg Only | no |
| URL Keys |
|
source database matches
Other package-manager records
Matches are pulled from external package-manager indexes and kept separate from local Automic Vault package links.
Debian apt95%
libinchi-bin 1.07.3+dfsg-1
International Chemical Identifier (InChI) algorithm (executable)
sudo apt install libinchi-bin- Section: science
- Architecture: amd64
- Source Package: inchi
- 2 dependencies
- normalized package name match
- Matched by: Inchi
Debian apt95%
libinchi-dev 1.07.3+dfsg-1
International Chemical Identifier (InChI) algorithm (development files)
sudo apt install libinchi-dev- Section: libdevel
- Architecture: amd64
- Source Package: inchi
- 1 dependencies
- normalized package name match
- Matched by: Inchi
Debian apt95%
libinchi1.07 1.07.3+dfsg-1
International Chemical Identifier (InChI) algorithm (library)
sudo apt install libinchi1.07- Section: libs
- Architecture: amd64
- Source Package: inchi
- 1 dependencies
- normalized package name match
- Matched by: Inchi
Nix95%
inchi
nix profile install nixpkgs#inchi- normalized package name match
- Matched by: Inchi
Ubuntu apt95%
libinchi-bin 1.03+dfsg-4build1
International Chemical Identifier (InChI) algorithm (executable)
sudo apt install libinchi-bin- Section: universe/science
- Architecture: amd64
- Source Package: inchi
- 2 dependencies
- normalized package name match
- Matched by: Inchi
Ubuntu apt95%
libinchi-dev 1.03+dfsg-4build1
International Chemical Identifier (InChI) algorithm (development files)
sudo apt install libinchi-dev- Section: universe/libdevel
- Architecture: amd64
- Source Package: inchi
- 1 dependencies
- normalized package name match
- Matched by: Inchi
Ubuntu apt95%
libinchi1 1.03+dfsg-4build1
International Chemical Identifier (InChI) algorithm (library)
sudo apt install libinchi1- Section: universe/libs
- Architecture: amd64
- Source Package: inchi
- 1 dependencies
- normalized package name match
- Matched by: Inchi
dnf95%
inchi 1.0.6-14.fc44
The IUPAC International Chemical Identifier library
https://www.inchi-trust.org/about-the-inchi-standard/
sudo dnf install inchi- License: GPL-2.0-or-later
- Category: Unspecified
- Architecture: x86_64
- Source Package: inchi
- 3 dependencies
- 1 provides
- normalized package name match
- Matched by: Inchi
dnf95%
inchi-devel 1.0.6-14.fc44
Development headers for the InChI library
https://www.inchi-trust.org/about-the-inchi-standard/
sudo dnf install inchi-devel- License: GPL-2.0-or-later
- Category: Unspecified
- Architecture: i686
- Source Package: inchi
- 2 dependencies
- 1 provides
- normalized package name match
- Matched by: Inchi
dnf95%
inchi-doc 1.0.6-14.fc44
Documentation for the InChI library
https://www.inchi-trust.org/about-the-inchi-standard/
sudo dnf install inchi-doc- License: GPL-2.0-or-later
- Category: Unspecified
- Architecture: noarch
- Source Package: inchi
- 1 dependencies
- 1 provides
- normalized package name match
- Matched by: Inchi
dnf95%
inchi-libs 1.0.6-14.fc44
The IUPAC International Chemical Identifier library
https://www.inchi-trust.org/about-the-inchi-standard/
sudo dnf install inchi-libs- License: GPL-2.0-or-later
- Category: Unspecified
- Architecture: i686
- Source Package: inchi
- 3 dependencies
- 2 provides
- normalized package name match
- Matched by: Inchi
pacman95%
inchi 1.07.5-1
The IUPAC International Chemical Identifier
https://github.com/IUPAC-InChI/InChI
sudo pacman -S inchi- License: MIT
- Architecture: x86_64
- 1 dependencies
- normalized package name match
- Matched by: Inchi
zypper95%
inchi 1.07.5-1.2
The IUPAC International Chemical Identifier
sudo zypper install inchi- License: MIT
- Category: Unspecified
- Architecture: x86_64
- Source Package: inchi
- 2 dependencies
- 1 provides
- normalized package name match
- Matched by: Inchi
zypper95%
inchi-devel 1.07.5-1.2
Development headers for the InChI library
sudo zypper install inchi-devel- License: MIT
- Category: Unspecified
- Architecture: x86_64
- Source Package: inchi
- 1 dependencies
- 1 provides
- normalized package name match
- Matched by: Inchi
zypper95%
inchi-doc 1.07.5-1.2
Documentation for the InChI library
sudo zypper install inchi-doc- License: MIT
- Category: Unspecified
- Architecture: noarch
- Source Package: inchi
- 1 provides
- normalized package name match
- Matched by: Inchi
zypper95%
libinchi1 1.07.5-1.2
The IUPAC International Chemical Identifier library
sudo zypper install libinchi1- License: MIT
- Category: Unspecified
- Architecture: x86_64
- Source Package: inchi
- 3 dependencies
- 2 provides
- normalized package name match
- Matched by: Inchi
source trail
Generated from repository data
This page is generated by av-web from the private package SQLite artifact built by scripts/generate-pkg-sqlite.py.
Combined YAML source
View the package source record on GitHub.
Used sources
- Geiger risk classifier
- Nucleus package database
- av.db category and tag curation
- cross-ecosystem install command graph
- curated package history
- external package-manager database matches
- package relationship graph
- package version freshness
- package-page enrichment