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N-Benzyl-5-bromopicolinamide - 98%, high purity , CAS No.951885-05-5
Discover N-Benzyl-5-bromopicolinamide by Aladdin Scientific in 98% for only $71.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
N-Benzyl-5-bromopicolinamide | 951885-05-5 | N-Benzyl-5-bromopyridine-2-carboxamide | SCHEMBL12266355 | DTXSID30650072 | BNB88505 | MFCD09801059 | AKOS012250608 | BS-33326 | CS-0195419 | E90259 | A859155
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
Not available
Direct Parent
Pyridinecarboxamides
Alternative Parents
2-heteroaryl carboxamides Benzene and substituted derivatives 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
Pyridinecarboxamide - 2-heteroaryl carboxamide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 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 pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
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-benzyl-5-bromopyridine-2-carboxamide
INCHI
InChI=1S/C13H11BrN2O/c14-11-6-7-12(15-9-11)13(17)16-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
InChIKey
LLHUJJBSCGALBA-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CNC(=O)C2=NC=C(C=C2)Br
Isomeric SMILES
C1=CC=C(C=C1)CNC(=O)C2=NC=C(C=C2)Br
Molecular Weight
291.1
Reaxy-Rn
48459335
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48459335&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
291.140 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
290.005 Da
Monoisotopic Mass
290.005 Da
Topological Polar Surface Area
42.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
254.000
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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