Basic information
- CAS
62833-97-0- Standard SMILES
O=C(O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1- InChIKey
NOZXKPUFOWZECN-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- N-(4-Carboxyphenyl)nicotinamide 1-oxide
- IUPAC
- 4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
- English name
- 3-[(4-Carboxyphenyl)carbamoyl]pyridine 1-oxide
- Molecular formula
- C13H10N2O4
- Molecular weight
- 258.23
Names & synonyms
62833-97-0BENZOIC ACID, 4-((3-PYRIDINYLCARBONYL)AMINO)-, N-OXIDEBRN 0484685N-(4-Carboxyphenyl)nicotinamide 1-oxideBenzoic acid, p-nicotinamido-, 1'-oxideNicotinamide, N-(p-carboxyphenyl)-, 1-oxide4-((3-Pyridinylcarbonyl)amino)benzoic acid N-oxideEnamine_0038393-[(4-Carboxyphenyl)carbamoyl]pyridine 1-oxideDTXSID20212007HMS1404O11IDI1_007482
Show more names
3-[(4-Carboxyphenyl)aminocarbonyl]pyridine 1-oxideBenzoic acid, 4-[[(1-oxido-3-pyridinyl)carbonyl]amino]-
DB-365785SR-01000025308SR-01000025308-1Z567573004-(1-Oxo-1lambda~5~-pyridine-3-carboxamido)benzoic acid
Database identifiers
- CAS
62833-97-0- PubChem CID
- 44169
- DTXSID
DTXSID20212007- Nikkaji
- J83.472F
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
- 340
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- Boiling point
- 468.5 · 468.5±25.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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