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5-bromo-1-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-one - 97%, high purity , CAS No.214342-73-1
Basic Description
Synonyms
214342-73-1 | 5-Bromo-1-methyl-3-(trifluoromethyl)pyridin-2(1H)-one | 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one | 5-bromo-1-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-one | SCHEMBL1851546 | MFCD27947398 | D97093 | A1-17929
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinones
Alternative Parents
Dihydropyridines Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinone - Dihydropyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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
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
5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one
INCHI
InChI=1S/C7H5BrF3NO/c1-12-3-4(8)2-5(6(12)13)7(9,10)11/h2-3H,1H3
InChIKey
UMVIWPJHQDHRMO-UHFFFAOYSA-N
Smiles
CN1C=C(C=C(C1=O)C(F)(F)F)Br
Isomeric SMILES
CN1C=C(C=C(C1=O)C(F)(F)F)Br
PubChem CID
67185916
Molecular Weight
256.02
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.019 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
254.951 Da
Monoisotopic Mass
254.951 Da
Topological Polar Surface Area
20.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
305.000
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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