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5-Bromo-N-phenylnicotinamide - 98%, high purity , CAS No.313562-28-6
Basic Description
Synonyms
5-BROMO-N-PHENYLNICOTINAMIDE | 313562-28-6 | 5-bromo-N-phenylpyridine-3-carboxamide | SCHEMBL485711 | CHEMBL4280000 | DTXSID00401452 | OLCNIPQERCZMGP-UHFFFAOYSA-N | MFCD00806104 | AKOS001315202 | BS-28284 | CS-0450891 | Z27782734
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic anilides
Alternative Parents
Nicotinamides 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
Aromatic anilide - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-bromo-N-phenylpyridine-3-carboxamide
INCHI
InChI=1S/C12H9BrN2O/c13-10-6-9(7-14-8-10)12(16)15-11-4-2-1-3-5-11/h1-8H,(H,15,16)
InChIKey
OLCNIPQERCZMGP-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br
Isomeric SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=CN=C2)Br
Molecular Weight
277.1
Reaxy-Rn
22230650
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22230650&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
277.120 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
275.99 Da
Monoisotopic Mass
275.99 Da
Topological Polar Surface Area
42.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
241.000
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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