5-(3-Aminocarbonylphenyl)-2-hydroxyisonicotinic acid

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Basic information

CAS: 1261905-44-5
Standard SMILES: NC(=O)c1cccc(-c2c[nH]c(=O)cc2C(=O)O)c1
InChIKey: RIUNJESYULQIFU-UHFFFAOYSA-N
Molecular formula: C13H10N2O4
Average molar mass: 258.23 g/mol
Monoisotopic mass: 258.0640568

Names & identifiers

Preferred name: 5-(3-Aminocarbonylphenyl)-2-hydroxyisonicotinic acid
IUPAC: 5-(3-carbamoylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid

Names & synonyms

1261905-44-55-(3-carbamoylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid5-(3-AMINOCARBONYLPHENYL)-2-HYDROXYISONICOTINIC ACIDDTXSID00687431MFCD183173165-(3-Aminocarbonylphenyl)-2-hydroxyisonicotinic acid, 95%5-(3-Carbamoylphenyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Database identifiers

CAS: 1261905-44-5
PubChem CID: 53223165
DTXSID: DTXSID00687431

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 109 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 493

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Compound notes

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