5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid
Basic information
- CAS
7442-76-4- Standard SMILES
Cc1ncc(C=O)c(C(=O)O)c1O- InChIKey
JTWNWNJMNSJYDL-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Overview
5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid is a pyridinemonocarboxylic acid that is pyridine-4-carboxylic acid substituted by a methyl group, hydroxy group and formyl group at positions 2,3 and 5, respectively. It is a member of methylpyridines, a pyridinemonocarboxylic acid, a monohydroxypyridine and a pyridinecarbaldehyde. It is a conjugate acid of a 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate.
Names & identifiers
- Preferred name
- 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid
- IUPAC
- 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
- English name
- 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylic acid
- Molecular weight
- 0
Names & synonyms
5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid7442-76-4CHEBI:28038DTXSID30331536RefChem:10729405-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acidDTXCID302826305-Formyl-3-hydroxy-2-methylisonicotinic acid2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate4-Pyridinecarboxylic acid, 5-formyl-3-hydroxy-2-methyl-C06050Isonicotinic acid, 5-formyl-3-hydroxy-2-methyl-
Show more names
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylic acid
SCHEMBL14575607JTWNWNJMNSJYDL-UHFFFAOYSA-NAKOS0063136515-Formyl-3-hydroxy-2-methylisonicotinic acid #
Database identifiers
- CAS
7442-76-4- PubChem CID
- 440898
- DTXSID
DTXSID30331536- ChEBI
CHEBI:28038- Nikkaji
- J101.922H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Metabolite PathwaysHypophosphatasia
Additional notes
DefinitionChEBI: 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid is a pyridinemonocarboxylic acid that is pyridine-4-carboxylic acid substituted by a methyl group, hydroxy group and formyl group at positions 2,3 and 5, respectively. It is a pyridinecarbaldehyde, a monohydroxypyridine, a pyridinemonocarboxylic acid and a member of methylpyridines. It is a conjugate acid of a 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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