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N-(2-Chloro-3-hydroxypyridin-4-yl)pivalamide , CAS No.1021339-26-3
Basic Description
Synonyms
DTXSID50604395 | FT-0757203 | A896893 | SB55385 | CS1440 | N-(2-Chloro-3-hydroxypyridin-4-yl)pivalamide, AldrichCPR | 1021339-26-3 | BS-19209 | AKOS015851171 | N-(2-Chloro-3-hydroxypyridin-4-yl)pivalamide | MFCD10574975 | Propanamide, N-(2-chloro-3-hydrox
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
N-arylamides
Intermediate Tree Nodes
Not available
Direct Parent
N-arylamides
Alternative Parents
Hydroxypyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylamide - 2-halopyridine - Hydroxypyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
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
N-(2-chloro-3-hydroxypyridin-4-yl)-2,2-dimethylpropanamide
INCHI
InChI=1S/C10H13ClN2O2/c1-10(2,3)9(15)13-6-4-5-12-8(11)7(6)14/h4-5,14H,1-3H3,(H,12,13,15)
InChIKey
DDZBDCPTLSFIME-UHFFFAOYSA-N
Smiles
CC(C)(C)C(=O)NC1=C(C(=NC=C1)Cl)O
Isomeric SMILES
CC(C)(C)C(=O)NC1=C(C(=NC=C1)Cl)O
WGK Germany
3
PubChem CID
20269762
Molecular Weight
228.68
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.670 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
228.067 Da
Monoisotopic Mass
228.067 Da
Topological Polar Surface Area
62.200 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
240.000
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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