5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid
5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
Also Known As: 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid|5-Formyl-3-hydroxy-2-methylisonicotinic acid|2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate|Isonicotinic acid, 5-formyl-3-hydroxy-2-methyl-|5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate|4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl-|5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid|5-Formyl-3-hydroxy-2-methylisonicotinic acid #|2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylic acid|2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylicacid|4-Pyridinecarboxylic acid,5-formyl-3-hydroxy-2-methyl|4-pyridinecarboxylic acid,5-formyl-3-hydroxy-2-methyl-
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.0375 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Monoisotopic Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 7442-76-4 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C(=O)O)C=O |
| InChIKey | JTWNWNJMNSJYDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid (CAS 7442-76-4), with molecular formula C8H7NO4 and molecular weight 181.0375 g/mol. IUPAC: 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid.