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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11FN4O2
Molecular Weight 262.2397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N6-[(4-Fluorophenyl)methyl]-3-nitro-2,6-pyridinediamine

SMILES

NC1=NC(NCC2=CC=C(F)C=C2)=CC=C1[N+]([O-])=O

InChI

InChIKey=ZVCIIRBNNSUNCH-UHFFFAOYSA-N
InChI=1S/C12H11FN4O2/c13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11/h1-6H,7H2,(H3,14,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
N6-[(4-Fluorophenyl)methyl]-3-nitro-2,6-pyridinediamine
Systematic Name English
2,6-Pyridinediamine, N6-[(4-fluorophenyl)methyl]-3-nitro-
Systematic Name English
N6-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
Systematic Name English
Code System Code Type Description
CAS
33400-49-6
Created by admin on Sat Dec 16 20:17:38 GMT 2023 , Edited by admin on Sat Dec 16 20:17:38 GMT 2023
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ECHA (EC/EINECS)
251-498-3
Created by admin on Sat Dec 16 20:17:38 GMT 2023 , Edited by admin on Sat Dec 16 20:17:38 GMT 2023
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EPA CompTox
DTXSID60187048
Created by admin on Sat Dec 16 20:17:38 GMT 2023 , Edited by admin on Sat Dec 16 20:17:38 GMT 2023
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PUBCHEM
118472
Created by admin on Sat Dec 16 20:17:38 GMT 2023 , Edited by admin on Sat Dec 16 20:17:38 GMT 2023
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FDA UNII
A56DSM5YR6
Created by admin on Sat Dec 16 20:17:38 GMT 2023 , Edited by admin on Sat Dec 16 20:17:38 GMT 2023
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