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5-(1,3-Benzoxazol-2-yl)-2-pyridinol , CAS No.54627-93-9
Discover 5-(1,3-Benzoxazol-2-yl)-2-pyridinol by Aladdin Scientific in for only $499.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(1,3-Benzoxazol-2-yl)-2-pyridinol | 54627-93-9 | 5-(1,3-Benzoxazol-2-yl)-2-hydroxypyridine | 5-(Benzo[d]oxazol-2-yl)pyridin-2(1H)-one | 5-(1,3-benzoxazol-2-yl)-1H-pyridin-2-one | 5-(Benzo[d]oxazol-2-yl)pyridin-2-ol | 5-(1,3-benzoxazol-2-yl)pyridin-2-ol | 5-(3H-1,3-be
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinones
Alternative Parents
Benzenoids Oxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridinone - Benzenoid - Heteroaromatic compound - Oxazole - Azole - Lactam - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
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-(1,3-benzoxazol-2-yl)-1H-pyridin-2-one
INCHI
InChI=1S/C12H8N2O2/c15-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)16-12/h1-7H,(H,13,15)
InChIKey
WBFJUDPHTWHSSS-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)N=C(O2)C3=CNC(=O)C=C3
Isomeric SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CNC(=O)C=C3
PubChem CID
135698695
Molecular Weight
212.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
212.200 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
212.059 Da
Monoisotopic Mass
212.059 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
362.000
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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