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N-Butyl 5-bromonicotinamide - 96%, high purity , CAS No.1150561-83-3
Basic Description
Synonyms
N-BUTYL 5-BROMONICOTINAMIDE | 1150561-83-3 | 5-bromo-N-butylpyridine-3-carboxamide | N-Butyl5-bromonicotinamide | 5-Bromo-N-butylnicotinamide | DTXSID30675104 | AWB56183 | MFCD12026109 | AKOS008921284 | 3-Pyridinecarboxamide, 5-bromo-N-butyl- | BS-19438 | CS-0441248 | A893948 | 5-
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxamides
Direct Parent
Nicotinamides
Alternative Parents
Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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
5-bromo-N-butylpyridine-3-carboxamide
INCHI
InChI=1S/C10H13BrN2O/c1-2-3-4-13-10(14)8-5-9(11)7-12-6-8/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey
JYLRBVKAUPICND-UHFFFAOYSA-N
Smiles
CCCCNC(=O)C1=CC(=CN=C1)Br
Isomeric SMILES
CCCCNC(=O)C1=CC(=CN=C1)Br
PubChem CID
46739502
Molecular Weight
257.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
257.130 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
256.021 Da
Monoisotopic Mass
256.021 Da
Topological Polar Surface Area
42.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
187.000
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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