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2-Hydroxy-6-(4-methylphenyl)pyridine - 98%, high purity , CAS No.129720-57-6
Basic Description
Synonyms
6-(p-Tolyl)pyridin-2-ol | 129720-57-6 | 2-HYDROXY-6-(4-METHYLPHENYL)PYRIDINE | 6-(4-methylphenyl)-1H-pyridin-2-one | 6-(4-tolyl)-2(1h)-pyridone | DTXSID50396586 | MFCD11876311 | AKOS015892411 | AKOS024272257 | SB53090 | 6-(4-Methylphenyl)pyridin-2(1H)-one | 6-(4-METHYLPHENYL)P
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
Toluenes Pyridinones Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Dihydropyridine - Pyridinone - Toluene - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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-(4-methylphenyl)-1H-pyridin-2-one
INCHI
InChI=1S/C12H11NO/c1-9-5-7-10(8-6-9)11-3-2-4-12(14)13-11/h2-8H,1H3,(H,13,14)
InChIKey
VKNQQUHTPUVQJD-UHFFFAOYSA-N
Smiles
CC1=CC=C(C=C1)C2=CC=CC(=O)N2
Isomeric SMILES
CC1=CC=C(C=C1)C2=CC=CC(=O)N2
Molecular Weight
185.2
Reaxy-Rn
1450005
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1450005&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
185.220 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
185.084 Da
Monoisotopic Mass
185.084 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
283.000
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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