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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N2O2
Molecular Weight 138.124
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isonicotinamide oxide

SMILES

NC(=O)C1=CC=[N+]([O-])C=C1

InChI

InChIKey=NZUWTGHVOISMHN-UHFFFAOYSA-N
InChI=1S/C6H6N2O2/c7-6(9)5-1-3-8(10)4-2-5/h1-4H,(H2,7,9)

HIDE SMILES / InChI

Molecular Formula C6H6N2O2
Molecular Weight 138.124
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 Sat Dec 16 12:12:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:41 GMT 2023
Record UNII
XF3ASU7ZUB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isonicotinamide oxide
Common Name English
4-Pyridinecarboxamide, 1-oxide
Systematic Name English
1-Oxidopyridin-1-ium-4-carboxamide
Systematic Name English
NSC-18386
Code English
Isonicotinamide 1-oxide
Systematic Name English
Code System Code Type Description
NSC
18386
Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-998-7
Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID00191881
Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023
PRIMARY
PUBCHEM
72966
Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023
PRIMARY
FDA UNII
XF3ASU7ZUB
Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023
PRIMARY
CAS
38557-82-3
Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023
PRIMARY