Basic information
- CAS
479-30-1- Standard SMILES
Cc1ncc(C(=O)O)c(C(=O)O)c1O- InChIKey
LVJJEIJOKPHQOU-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Overview
5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid is a member of methylpyridines and a monohydroxypyridine. It is functionally related to a cinchomeronic acid. It is a conjugate acid of a 5-hydroxy-6-methylpyridine-3,4-dicarboxylate and a 5-oxido-6-methylpyridinium-3,4-dicarboxylate.
Names & identifiers
- Preferred name
- 5-Hydroxy-6-methyl-3,4-pyridinedicarboxylic acid
- IUPAC
- 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
- English name
- 3,4-Pyridinedicarboxylic acid, 5-hydroxy-6-methyl-
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.14
Names & synonyms
Ichiba acid479-30-15-Hydroxy-6-methyl-3,4-pyridinedicarboxylic acid60H2Q57ICL3,4-Pyridinedicarboxylic acid, 5-hydroxy-6-methyl-DTXSID60331488RefChem:1073000DTXCID602825825-hydroxy-6-methylpyridine-3,4-dicarboxylic acid3-Hydroxy-2-methylpyridine-4,5-dicarboxylateUNII-60H2Q57ICL3,4-Pyridinedicarboxylicacid, 5-hydroxy-6-methyl-
Show more names
Vitamin B10 ImpurityPyridoxine Impurity 47Chlorantraniliprole Impurity 7-d3Pyridoxine /Vitamin B6 Impurity 336-Methyl-5-hydroxypyridine-3,4-dicarboxylic acid3-Hydroxy-2-methylpyridine-4,5-dicarboxylic acid3-Hydroxy-2-methyl-4,5-pyridinedicarboxylic acid
SCHEMBL11562679CHEBI:17978LVJJEIJOKPHQOU-UHFFFAOYSA-NMFCD18382782C046045-hydroxy-6-methylpyridine-3,4-dicarboxylicacid2-methyl-3-hydroxy-4,5-pyridinedicarboxylic acid5-Hydroxy-6-methyl-3,4-pyridinedicarboxylic acid #
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 646.9 · 646.9±55.0 °C(Predicted)
- Density
- 1.61 · 1.610±0.06 g/cm3(Predicted)
- solubility
- Methanol (Slightly, Heated), Water (Slightly, Heated)
- form
- Solid
- pka
- 0.25 · 0.25±0.25(Predicted)
- color
- Off-White to Pale Beige
- Stability
- Hygroscopic
- FDA UNII
- 60 H2Q57ICL · 60H2Q57ICL
Chemistry & industry
Pharmacology
Metabolite PathwaysHypophosphatasia
Applications
Uses5-Hydroxy-6-methyl-3,4-pyridinedicarboxylic Acid is used in studies to identify 4-pyridoxic acid dehydrogenase gene in pyridoxine catabolism of Mesorhizobium loti MAFF303099.
Suppliers14 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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