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3-(4-Fluorophenyl)pyridine-2-carbonitrile - 96%, high purity , CAS No.1214340-31-4
Basic Description
Synonyms
3-(4-Fluorophenyl)picolinonitrile | 1214340-31-4 | 3-(4-Fluorophenyl)pyridine-2-carbonitrile | SCHEMBL3711809 | DTXSID00673339 | MFCD14698978 | AKOS015999379 | SB53564 | BS-20925 | CS-0210616 | 2-Pyridinecarbonitrile, 3-(4-fluorophenyl)- | A891753
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
Fluorobenzenes Aryl fluorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organofluoride - 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
3-(4-fluorophenyl)pyridine-2-carbonitrile
INCHI
InChI=1S/C12H7FN2/c13-10-5-3-9(4-6-10)11-2-1-7-15-12(11)8-14/h1-7H
InChIKey
LOZMHXYWGONKCM-UHFFFAOYSA-N
Smiles
C1=CC(=C(N=C1)C#N)C2=CC=C(C=C2)F
Isomeric SMILES
C1=CC(=C(N=C1)C#N)C2=CC=C(C=C2)F
Molecular Weight
198.2
Reaxy-Rn
20655439
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20655439&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
198.200 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
198.059 Da
Monoisotopic Mass
198.059 Da
Topological Polar Surface Area
36.700 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
250.000
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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