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5-Amino-3-(trifluoromethyl)pyridin-2-ol - 95%, high purity , CAS No.1373232-58-6
Discover 5-Amino-3-(trifluoromethyl)pyridin-2-ol by Aladdin Scientific in 95% for only $1,704.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1373232-58-6 | 5-AMINO-3-(TRIFLUOROMETHYL)PYRIDIN-2(1H)-ONE | 5-Amino-3-(trifluoromethyl)pyridin-2-ol | 5-AMINO-3-(TRIFLUOROMETHYL)-1H-PYRIDIN-2-ONE | 2(1H)-Pyridinone, 5-amino-3-(trifluoromethyl)- | RB1125 | SCHEMBL19133107 | DTXSID10745354 | BPJZAXHGXOGOGS-UHFFFAOYSA-N
Specifications & Purity
≥95%
Storage Temp
Room temperature
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 Aminopyridines and derivatives Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyridine - Dihydropyridine - Pyridinone - Heteroaromatic compound - Lactam - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - 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-amino-3-(trifluoromethyl)-1H-pyridin-2-one
INCHI
InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,10H2,(H,11,12)
InChIKey
BPJZAXHGXOGOGS-UHFFFAOYSA-N
Smiles
C1=C(C(=O)NC=C1N)C(F)(F)F
Isomeric SMILES
C1=C(C(=O)NC=C1N)C(F)(F)F
Molecular Weight
178.1
Reaxy-Rn
30230942
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30230942&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
178.110 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
178.035 Da
Monoisotopic Mass
178.035 Da
Topological Polar Surface Area
55.100 Ų
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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