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2-Hydroxy-6-(3-nitrophenyl)pyridine - 95%, high purity , CAS No.1111110-56-5
Basic Description
Synonyms
6-(3-Nitrophenyl)pyridin-2-ol | 1111110-56-5 | 2-HYDROXY-6-(3-NITROPHENYL)PYRIDINE | 6-(3-nitrophenyl)-1H-pyridin-2-one | DTXSID10682795 | MFCD11876117 | AKOS015892182 | 6-(3-Nitrophenyl)pyridin-2(1H)-one | BS-25492 | CS-0208803 | A894786
Specifications & Purity
≥95%
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
Nitrobenzenes Nitroaromatic compounds Pyridinones Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Pyridinone - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Heteroaromatic compound - Organic nitro compound - Lactam - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organic salt - 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-(3-nitrophenyl)-1H-pyridin-2-one
INCHI
InChI=1S/C11H8N2O3/c14-11-6-2-5-10(12-11)8-3-1-4-9(7-8)13(15)16/h1-7H,(H,12,14)
InChIKey
HQDFUSNTLWVWBQ-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=CC(=O)N2
Isomeric SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=CC(=O)N2
PubChem CID
53217772
Molecular Weight
216.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
216.190 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
216.053 Da
Monoisotopic Mass
216.053 Da
Topological Polar Surface Area
74.900 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
368.000
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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