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Details

Stereochemistry ACHIRAL
Molecular Formula C8H2F3N3S
Molecular Weight 229.182
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

FC(F)(F)C1=CC(=CN=C1C#N)N=C=S

InChI

InChIKey=NQNLQGJLAVDALO-UHFFFAOYSA-N
InChI=1S/C8H2F3N3S/c9-8(10,11)6-1-5(14-4-15)3-13-7(6)2-12/h1,3H

HIDE SMILES / InChI

Molecular Formula C8H2F3N3S
Molecular Weight 229.182
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:45:14 GMT 2025
Edited
by admin
on Wed Apr 02 19:45:14 GMT 2025
Record UNII
9SY95P8P87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Pyridinecarbonitrile, 5-isothiocyanato-3-(trifluoromethyl)-
Preferred Name English
5-Isothiocyanato-3-(trifluoromethyl)picolinonitrile
Systematic Name English
5-Isothiocyanato-3-(trifluoromethyl)-2-pyridinecarbonitrile
Systematic Name English
Code System Code Type Description
CAS
951753-87-0
Created by admin on Wed Apr 02 19:45:14 GMT 2025 , Edited by admin on Wed Apr 02 19:45:14 GMT 2025
PRIMARY
PUBCHEM
25019980
Created by admin on Wed Apr 02 19:45:14 GMT 2025 , Edited by admin on Wed Apr 02 19:45:14 GMT 2025
PRIMARY
FDA UNII
9SY95P8P87
Created by admin on Wed Apr 02 19:45:14 GMT 2025 , Edited by admin on Wed Apr 02 19:45:14 GMT 2025
PRIMARY