Indole-5-carbonitrile

CAS 15861-24-2  ·  C9H6N2  ·  MW 142.16 g/mol

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3D model Indole-5-carbonitrile, CAS 15861-24-2, molecular formula C9H6N2, molar mass 142.16 g/mol
About Indole-5-carbonitrile

Indole-5-carbonitrile is a chemical compound registered under number CAS 15861-24-2, with the molecular formula C9H6N2, and a molar mass of 142.16 g/mol.

The molecule contains 17 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 1H-indole-5-carbonitrile. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.4 (positive value, a lipophilic compound), polar surface area PSA = 39.6 Ų, 1 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC9H6N2
Masa molowa142.16 g/mol
IUPAC1H-indole-5-carbonitrile
SMILESC1=CC2=C(C=CN2)C=C1C#N
InChIKeyYHYLDEVWYOFIJK-UHFFFAOYSA-N
logP (XLogP3)2.4
PSA39.6 Ų
HBD / HBA1 / 1
PubChem CIDCID 27513 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
5-Cyanoindole · 1H-Indole-5-carbonitrile · INDOLE-5-CARBONITRILE · EINECS 239-986-4 · RefChem:148203 · DTXCID5088968 · 239-986-4 · YHYLDEVWYOFIJK-UHFFFAOYSA-N · 15861-24-2 · 5-Cyano-1H-indole · 5-Cyano indole · MFCD00005669 · 5-Indolecarbonitrile · CHEMBL294926 · AKOS005206715
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Indole-5-carbonitrile — CAS 15861-24-2

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Indole-5-carbonitrile (CAS 15861-24-2) — License & Provenance

Source:
Indole-5-carbonitrile (CAS 15861-24-2) — MolGod molecule record

Source data: PubChem CID 27513

STL: Download 3D model (350 KB)

SHA-256: 62eee29c937ec1e04debe9d00691a38862ad5a2ba9e5254341d9b314f4cdca86

Wikimedia Commons: not published yet

Source data: PubChem CID 27513

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.