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Details

Stereochemistry ACHIRAL
Molecular Formula C13H6ClF3N2O2
Molecular Weight 314.647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLORO-5-((1,2-DIHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDINYL)OXY)BENZONITRILE

SMILES

FC(F)(F)C1=C(OC2=CC(=CC(Cl)=C2)C#N)C(=O)NC=C1

InChI

InChIKey=HWTORHRJFMRBLG-UHFFFAOYSA-N
InChI=1S/C13H6ClF3N2O2/c14-8-3-7(6-18)4-9(5-8)21-11-10(13(15,16)17)1-2-19-12(11)20/h1-5H,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C13H6ClF3N2O2
Molecular Weight 314.647
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:37:24 UTC 2023
Edited
by admin
on Thu Jul 06 20:37:24 UTC 2023
Record UNII
25T4FX9UFY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-5-((1,2-DIHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDINYL)OXY)BENZONITRILE
Systematic Name English
3-CHLORO-5-((2-OXO-4-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDIN-3-YL)OXY)BENZONITRILE
Systematic Name English
BENZONITRILE, 3-CHLORO-5-((1,2-DIHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-3-PYRIDINYL)OXY)-
Systematic Name English
3-CHLORO-5-((2-OXO-4-(TRIFLUOROMETHYL)-1H-PYRIDIN-3-YL)OXY)BENZONITRILE
Systematic Name English
DORAVIRINE METABOLITE M11
Common Name English
Code System Code Type Description
CAS
1155846-86-8
Created by admin on Thu Jul 06 20:37:24 UTC 2023 , Edited by admin on Thu Jul 06 20:37:24 UTC 2023
PRIMARY
FDA UNII
25T4FX9UFY
Created by admin on Thu Jul 06 20:37:24 UTC 2023 , Edited by admin on Thu Jul 06 20:37:24 UTC 2023
PRIMARY
PUBCHEM
58460048
Created by admin on Thu Jul 06 20:37:24 UTC 2023 , Edited by admin on Thu Jul 06 20:37:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT->INNOVATOR
MINOR