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6-Bromo-N-methylnicotinamide - 98%, high purity , CAS No.869640-48-2
Discover 6-Bromo-N-methylnicotinamide by Aladdin Scientific in 98% for only $3,197.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6-BROMO-N-METHYLNICOTINAMIDE | 869640-48-2 | 6-BROMO-N-METHYLPYRIDINE-3-CARBOXAMIDE | 6-Bromo-N-methyl-3-pyridinecarboxamide | SCHEMBL856809 | 6-Bromo-N-methyl nicotinamide | 6-Bromo-N-methyl-nicotinamide | DTXSID00630543 | JHFJFJHQZAIQLE-UHFFFAOYSA-N | N-METHYL 6-BROMONIC
Specifications & Purity
≥98%
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
2-halopyridines 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 - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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
6-bromo-N-methylpyridine-3-carboxamide
INCHI
InChI=1S/C7H7BrN2O/c1-9-7(11)5-2-3-6(8)10-4-5/h2-4H,1H3,(H,9,11)
InChIKey
JHFJFJHQZAIQLE-UHFFFAOYSA-N
Smiles
CNC(=O)C1=CN=C(C=C1)Br
Isomeric SMILES
CNC(=O)C1=CN=C(C=C1)Br
Molecular Weight
215
Reaxy-Rn
11432045
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11432045&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
215.050 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
213.974 Da
Monoisotopic Mass
213.974 Da
Topological Polar Surface Area
42.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
151.000
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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