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6-(4-Cyanophenyl)-2-hydroxypyridine - 98%, high purity , CAS No.1111110-50-9
Basic Description
Synonyms
4-(6-Hydroxypyridin-2-yl)benzonitrile | 1111110-50-9 | 6-(4-CYANOPHENYL)-2-HYDROXYPYRIDINE | 4-(6-oxo-1H-pyridin-2-yl)benzonitrile | DTXSID90682551 | MFCD11876110 | AKOS006342855 | SB52811 | BS-25142 | CS-0212532 | 4-(6-Oxo-1,6-dihydropyridin-2-yl)benzonitrile | A894788
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
Benzonitriles Pyridinones Dihydropyridines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Benzonitrile - Dihydropyridine - Pyridinone - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Lactam - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - 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
4-(6-oxo-1H-pyridin-2-yl)benzonitrile
INCHI
InChI=1S/C12H8N2O/c13-8-9-4-6-10(7-5-9)11-2-1-3-12(15)14-11/h1-7H,(H,14,15)
InChIKey
CFHFDLIQRSYELI-UHFFFAOYSA-N
Smiles
C1=CC(=O)NC(=C1)C2=CC=C(C=C2)C#N
Isomeric SMILES
C1=CC(=O)NC(=C1)C2=CC=C(C=C2)C#N
PubChem CID
53217518
Molecular Weight
196.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.200 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
196.064 Da
Monoisotopic Mass
196.064 Da
Topological Polar Surface Area
52.900 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
364.000
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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