Basic information
- CAS
62833-95-8- Standard SMILES
O=C(O)c1cccc(NC(=O)c2ccc[n+]([O-])c2)c1- InChIKey
QNLBGYALRQFXIA-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- N-(3-Carboxyphenyl)nicotinamide 1-oxide
- IUPAC
- 3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
- English name
- 3-[(3-Carboxyphenyl)carbamoyl]pyridine 1-oxide
- Molecular formula
- C13H10N2O4
- Molecular weight
- 258.23
Names & synonyms
N-(3-Carboxyphenyl)nicotinamide 1-oxide62833-95-8BENZOIC ACID, 3-((3-PYRIDINYLCARBONYL)AMINO)-, N-OXIDEBRN 0484684Benzoic acid, m-nicotinamido-, 1'-oxideNicotinamide, N-(m-carboxyphenyl)-, 1-oxide3-((3-Pyridinylcarbonyl)amino)benzoic acid N-oxide3-[(3-CARBOXYPHENYL)CARBAMOYL]PYRIDINE 1-OXIDEDTXSID60212006DB-3657773-(1-Oxo-1lambda~5~-pyridine-3-carboxamido)benzoic acidBenzoic acid, 3-[[(1-oxido-3-pyridinyl)carbonyl]amino]-
Database identifiers
- CAS
62833-95-8- PubChem CID
- 44167
- DTXSID
DTXSID60212006- Nikkaji
- J87.237G
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
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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