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3-Hydroxy-5-(trifluoromethyl)pyridine , CAS No.186593-14-6
Discover 3-Hydroxy-5-(trifluoromethyl)pyridine by Aladdin Scientific in for only $797.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(Trifluoromethyl)pyridin-3-ol | 186593-14-6 | 3-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE | MFCD10697687 | 3-Pyridinol, 5-(trifluoromethyl)- | SCHEMBL875313 | DTXSID50629381 | ABENFJRUQYYZPV-UHFFFAOYSA-N | 3-hydroxy-5-trifluoromethylpyridine | AMY35001 | BBL101502 | STL555298 | AKOS
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydroxypyridines
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxypyridines
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxypyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group.
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-(trifluoromethyl)pyridin-3-ol
INCHI
InChI=1S/C6H4F3NO/c7-6(8,9)4-1-5(11)3-10-2-4/h1-3,11H
InChIKey
YUUZFMWMDPHTQS-UHFFFAOYSA-N
Smiles
C1=C(C=NC=C1O)C(F)(F)F
Isomeric SMILES
C1=C(C=NC=C1O)C(F)(F)F
Molecular Weight
163.1
Reaxy-Rn
9255516
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9255516&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.100 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
163.024 Da
Monoisotopic Mass
163.024 Da
Topological Polar Surface Area
33.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136.000
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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