3-Isoquinolinecarbonitrile (CHEBI:194843)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-Isoquinolinecarbonitrile

ChEBI ID	CHEBI:194843

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H6N2

Net Charge

Average Mass

154.172

Monoisotopic Mass

154.05310

InChI

InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H

InChIKey

GXXBVBVNGMCFIU-UHFFFAOYSA-N

SMILES

N1=CC=2C(=CC=CC2)C=C1C#N

ChEBI Ontology
Outgoing	3-Isoquinolinecarbonitrile (CHEBI:194843) is a isoquinolines (CHEBI:24922)

IUPAC Name

isoquinoline-3-carbonitrile