U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H8N2O
Molecular Weight 196.2047
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHENOXYNICOTINONITRILE

SMILES

N#CC1=CC=CN=C1OC2=CC=CC=C2

InChI

InChIKey=KMQFYNLYTMIJPI-UHFFFAOYSA-N
InChI=1S/C12H8N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h1-8H

HIDE SMILES / InChI

Approval Year

Name Type Language
NICOTINONITRILE, 2-PHENOXY-
Preferred Name English
2-PHENOXYNICOTINONITRILE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80161820
Created by admin on Wed Apr 02 13:03:28 GMT 2025 , Edited by admin on Wed Apr 02 13:03:28 GMT 2025
PRIMARY
CAS
14178-15-5
Created by admin on Wed Apr 02 13:03:28 GMT 2025 , Edited by admin on Wed Apr 02 13:03:28 GMT 2025
PRIMARY
PUBCHEM
84242
Created by admin on Wed Apr 02 13:03:28 GMT 2025 , Edited by admin on Wed Apr 02 13:03:28 GMT 2025
PRIMARY
FDA UNII
KNM66JH5X7
Created by admin on Wed Apr 02 13:03:28 GMT 2025 , Edited by admin on Wed Apr 02 13:03:28 GMT 2025
PRIMARY
ECHA (EC/EINECS)
238-035-0
Created by admin on Wed Apr 02 13:03:28 GMT 2025 , Edited by admin on Wed Apr 02 13:03:28 GMT 2025
PRIMARY