Name: (5-methyl-6-oxo-1H-pyridin-3-yl)boronic acid - ≥97% , CAS No.1356087-46-1
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinones
Alternative Parents	Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dihydropyridine - Methylpyridine - Pyridinone - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Lactam - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	152.950 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.06 Da
Monoisotopic Mass	153.06 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	244.000
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

Solution Calculators

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Reviews

Canonical Smiles	B(C1=CNC(=O)C(=C1)C)(O)O
IUPAC Name	(5-methyl-6-oxo-1H-pyridin-3-yl)boronic acid
InChIKey	OHSSEGIGVJHAAG-UHFFFAOYSA-N
INCHI	1S/C6H8BNO3/c1-4-2-5(7(10)11)3-8-6(4)9/h2-3,10-11H,1H3,(H,8,9)
Isomeric SMILES	B(C1=CNC(=O)C(=C1)C)(O)O
Alternate CAS	1356087-46-1
PubChem CID	68648992
Molecular Weight	152.94

(5-methyl-6-oxo-1H-pyridin-3-yl)boronic acid - ≥97% , CAS No.1356087-46-1

Specifications