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1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid - 97%, high purity , CAS No.15506-18-0
Basic Description
Synonyms
1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid | 15506-18-0 | 1-methyl-2-oxopyridine-3-carboxylic acid | 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-oxo- | MFCD00661384 | 1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid | AJ-333/25006182 | SCHEMBL228062
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 Vinylogous amides Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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
1-methyl-2-oxopyridine-3-carboxylic acid
INCHI
InChI=1S/C7H7NO3/c1-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11)
InChIKey
DFAQSHLYVFQOJM-UHFFFAOYSA-N
Smiles
CN1C=CC=C(C1=O)C(=O)O
Isomeric SMILES
CN1C=CC=C(C1=O)C(=O)O
Molecular Weight
153.137
Reaxy-Rn
128932
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128932&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
153.140 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
153.043 Da
Monoisotopic Mass
153.043 Da
Topological Polar Surface Area
57.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
265.000
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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