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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H6ClN3
Molecular Weight 203.628
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile

SMILES

ClC1=CC(=CC=C1C#N)C2=NNC=C2

InChI

InChIKey=BCINLNFBTLIGBU-UHFFFAOYSA-N
InChI=1S/C10H6ClN3/c11-9-5-7(1-2-8(9)6-12)10-3-4-13-14-10/h1-5H,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile
Preferred Name English
2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile
Systematic Name English
Benzonitrile, 2-chloro-4-(1H-pyrazol-3-yl)-
Systematic Name English
Code System Code Type Description
FDA UNII
3896742GVE
Created by admin on Wed Apr 02 16:47:03 GMT 2025 , Edited by admin on Wed Apr 02 16:47:03 GMT 2025
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EPA CompTox
DTXSID201275822
Created by admin on Wed Apr 02 16:47:03 GMT 2025 , Edited by admin on Wed Apr 02 16:47:03 GMT 2025
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CAS
1297537-37-1
Created by admin on Wed Apr 02 16:47:03 GMT 2025 , Edited by admin on Wed Apr 02 16:47:03 GMT 2025
PRIMARY
PUBCHEM
67170102
Created by admin on Wed Apr 02 16:47:03 GMT 2025 , Edited by admin on Wed Apr 02 16:47:03 GMT 2025
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