Basic information
- CAS
62833-96-9- Standard SMILES
O=C(O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1- InChIKey
MDBUUKNNYXYBSL-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide
- IUPAC
- 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoic acid
Names & synonyms
BENZOIC ACID, 3-((4-PYRIDINYLCARBONYL)AMINO)-, N-OXIDE62833-96-9RefChem:1079054N-(4-Carboxyphenyl)isonicotinamide 1-oxide62834-16-6BRN 0484689Isonicotinamide, N-(p-carboxyphenyl)-, 1-oxide4-((4-Pyridinylcarbonyl)amino)benzoic acid N-oxideBENZOIC ACID, p-ISONICOTINAMIDO-, 1'-OXIDEBenzoic acid, 4-((4-pyridinylcarbonyl)amino)-, N-oxideBRN 0484688Benzoic acid, m-isonicotinamido-, 1'-oxide
Show more names
N-(3-Carboxyphenyl)isonicotinamide 1-oxideIsonicotinamide, N-(m-carboxyphenyl)-, 1-oxide3-((4-Pyridinylcarbonyl)amino)benzoic acid N-oxideSCHEMBL10660010
Database identifiers
- CAS
62833-96-9、62834-16-6- PubChem CID
- 44168
- DTXSID
DTXSID60978539- Nikkaji
- J83.432G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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