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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H2F3N3O2
Molecular Weight 217.1049
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Nitro-3-(trifluoromethyl)picolinonitrile

SMILES

[O-][N+](=O)C1=CN=C(C#N)C(=C1)C(F)(F)F

InChI

InChIKey=IDGUNYFTVCEPGA-UHFFFAOYSA-N
InChI=1S/C7H2F3N3O2/c8-7(9,10)5-1-4(13(14)15)3-12-6(5)2-11/h1,3H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-Nitro-3-(trifluoromethyl)picolinonitrile
Systematic Name English
2-Pyridinecarbonitrile, 5-nitro-3-(trifluoromethyl)-
Preferred Name English
5-Nitro-3-(trifluoromethyl)-2-pyridinecarbonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
JV9N748XTJ
Created by admin on Wed Apr 02 19:46:29 GMT 2025 , Edited by admin on Wed Apr 02 19:46:29 GMT 2025
PRIMARY
PUBCHEM
21874893
Created by admin on Wed Apr 02 19:46:29 GMT 2025 , Edited by admin on Wed Apr 02 19:46:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID401228996
Created by admin on Wed Apr 02 19:46:29 GMT 2025 , Edited by admin on Wed Apr 02 19:46:29 GMT 2025
PRIMARY
CAS
573762-57-9
Created by admin on Wed Apr 02 19:46:29 GMT 2025 , Edited by admin on Wed Apr 02 19:46:29 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966