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2-Hydroxy-6-(4-trifluoromethylphenyl)pyridine - 98%, high purity , CAS No.1111110-54-3
Basic Description
Synonyms
1111110-54-3 | 6-(4-(Trifluoromethyl)phenyl)pyridin-2-ol | 2-HYDROXY-6-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE | 6-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one | DTXSID90671743 | DWKCKXNQFDMEDU-UHFFFAOYSA-N | MFCD11876114 | AKOS015892184 | SB55325 | BS-25141 | 6-[4-(Trifluoromethy
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Trifluoromethylbenzenes Pyridinones Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Trifluoromethylbenzene - Dihydropyridine - Pyridinone - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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
6-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
INCHI
InChI=1S/C12H8F3NO/c13-12(14,15)9-6-4-8(5-7-9)10-2-1-3-11(17)16-10/h1-7H,(H,16,17)
InChIKey
DWKCKXNQFDMEDU-UHFFFAOYSA-N
Smiles
C1=CC(=O)NC(=C1)C2=CC=C(C=C2)C(F)(F)F
Isomeric SMILES
C1=CC(=O)NC(=C1)C2=CC=C(C=C2)C(F)(F)F
Molecular Weight
239.2
Reaxy-Rn
23420718
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23420718&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
239.190 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
239.056 Da
Monoisotopic Mass
239.056 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
362.000
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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