6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Basic information
- CAS
116448-19-2- Standard SMILES
Cc1cc(=O)[nH]c(O)c1C(=O)O- InChIKey
ZZNZFBULEPJXCW-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Names & identifiers
- Preferred name
- 6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
- IUPAC
- 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
- English name
- 3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
- Molecular formula
- C7H7NO4
- Molecular weight
- 169.13
Names & synonyms
116448-19-26-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid2,6-dihydroxy-4-methylnicotinic acid3-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylic acidF3250-06886-hydroxy-4-methyl-2-oxohydropyridine-3-carboxylic acidNSC341968Oprea1_408167CHEMBL1213563SCHEMBL10864783SCHEMBL11449475
Show more names
DTXSID30419545HMS1696O11SMSSF-0055400CCG-1663MFCD06447005SBB081509STK741358AKOS000276316
Database identifiers
- CAS
116448-19-2- PubChem CID
- 334847
- DTXSID
DTXSID30419545- ChEMBL
CHEMBL1213563
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 403.6 · 403.6±45.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 4.56 · 4.56±0.58(Predicted)
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Compound notes
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