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N-(2,5-Dibromopyridin-3-yl)pivalamide , CAS No.1138444-05-9
Basic Description
Synonyms
1138444-05-9 | N-(2,5-Dibromopyridin-3-yl)pivalamide, AldrichCPR | MFCD11857674 | N-(2,5-Dibromopyridin-3-yl)pivalamide | N-(2,5-dibromopyridin-3-yl)-2,2-dimethylpropanamide | AKOS015835803 | DTXSID80673857
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
Polyhalopyridines 2-halopyridines Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylamide - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - 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-(2,5-dibromopyridin-3-yl)-2,2-dimethylpropanamide
INCHI
InChI=1S/C10H12Br2N2O/c1-10(2,3)9(15)14-7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H,14,15)
InChIKey
YAZQPRDSHZOORW-UHFFFAOYSA-N
Smiles
CC(C)(C)C(=O)NC1=C(N=CC(=C1)Br)Br
Isomeric SMILES
CC(C)(C)C(=O)NC1=C(N=CC(=C1)Br)Br
WGK Germany
3
Molecular Weight
336.02
Reaxy-Rn
45520793
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45520793&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
336.020 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
335.93 Da
Monoisotopic Mass
333.932 Da
Topological Polar Surface Area
42.000 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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