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methyl 5,6-dihydroxypyridine-3-carboxylate - 97%, high purity
Basic Description
Synonyms
methyl 5,6-dihydroxynicotinate | 1363382-77-7 | methyl 5,6-dihydroxypyridine-3-carboxylate | methyl 5-hydroxy-6-oxo-1H-pyridine-3-carboxylate | MFCD23105855 | methyl5,6-dihydroxynicotinate | SCHEMBL14333224 | DTXSID801156141 | AKOS025290209 | PB37505 | SB20370 | AS-51761 | SY058
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Pyridinones Hydroxypyridines Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Hydroxypyridine - Pyridinone - Hydropyridine - Vinylogous amide - Methyl ester - Heteroaromatic compound - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
methyl 5-hydroxy-6-oxo-1H-pyridine-3-carboxylate
INCHI
InChI=1S/C7H7NO4/c1-12-7(11)4-2-5(9)6(10)8-3-4/h2-3,9H,1H3,(H,8,10)
InChIKey
GKUFHKYBUJMWSL-UHFFFAOYSA-N
Smiles
COC(=O)C1=CNC(=O)C(=C1)O
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
169.130 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
169.038 Da
Monoisotopic Mass
169.038 Da
Topological Polar Surface Area
75.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
290.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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