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2-(2,5-Difluorophenyl)-5-hydroxypyridine - 96%, high purity , CAS No.1261937-03-4
Basic Description
Synonyms
6-(2,5-Difluorophenyl)pyridin-3-ol | 1261937-03-4 | 2-(2,5-DIFLUOROPHENYL)-5-HYDROXYPYRIDINE | DTXSID40692524 | MFCD18323451 | AKOS015892207 | 3-Pyridinol, 6-(2,5-difluorophenyl)- | BS-20251 | CS-0101171
Specifications & Purity
≥96%
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
Hydroxypyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Hydroxypyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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-(2,5-difluorophenyl)pyridin-3-ol
INCHI
InChI=1S/C11H7F2NO/c12-7-1-3-10(13)9(5-7)11-4-2-8(15)6-14-11/h1-6,15H
InChIKey
DHAHVVVYUYYBNH-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1F)C2=NC=C(C=C2)O)F
Isomeric SMILES
C1=CC(=C(C=C1F)C2=NC=C(C=C2)O)F
PubChem CID
53229292
Molecular Weight
207.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
207.180 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
207.05 Da
Monoisotopic Mass
207.05 Da
Topological Polar Surface Area
33.100 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
215.000
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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