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4-Hydroxy-6-(trifluoromethyl)pyridin-2(1H)-one - ≥95%, high purity , CAS No.947144-32-3

COA

Grade & Purity:

≥95%

Cas Number: 947144-32-3
Molecular Weight: 179.1
PubChem CID: 67455664

In stock

Item Number

H734674

Grouped product items
SKU	Size	Availability	Price	Qty
H734674-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$889.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinones
Alternative Parents	Hydroxypyridines Dihydropyridines Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dihydropyridine - Pyridinone - Hydroxypyridine - Vinylogous acid - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - 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

Names and Identifiers

IUPAC Name	4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
INCHI	InChI=1S/C6H4F3NO2/c7-6(8,9)4-1-3(11)2-5(12)10-4/h1-2H,(H2,10,11,12)
InChIKey	HMNGHOZGHIWTLQ-UHFFFAOYSA-N
Smiles	C1=C(C=C(NC1=O)C(F)(F)F)O
Isomeric SMILES	C1=C(C=C(NC1=O)C(F)(F)F)O
PubChem CID	67455664
Molecular Weight	179.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.100 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	179.019 Da
Monoisotopic Mass	179.019 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	277.000
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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