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2-chloro-4,6-dimethylpyridine-3-carboxamide - 97%, high purity , CAS No.140413-44-1
Basic Description
Synonyms
2-Chloro-4,6-dimethylnicotinamide | 140413-44-1 | 2-chloro-4,6-dimethylpyridine-3-carboxamide | MFCD00067869 | 2-chloro-4,6-dimethylnicotinic acid amide | 3-Pyridinecarboxamide, 2-chloro-4,6-dimethyl- | Oprea1_189891 | Oprea1_845589 | MLS001007526 | CHEMBL1588759 | DTXSID503
Specifications & Purity
≥97%
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
Methylpyridines 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Methylpyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen 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.
Associated Targets(Human)
Associated Targets(non-human)
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
2-chloro-4,6-dimethylpyridine-3-carboxamide
INCHI
InChI=1S/C8H9ClN2O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,10,12)
InChIKey
NNBAGQPBTCYTKF-UHFFFAOYSA-N
Smiles
CC1=CC(=NC(=C1C(=O)N)Cl)C
Isomeric SMILES
CC1=CC(=NC(=C1C(=O)N)Cl)C
Molecular Weight
184.62
Reaxy-Rn
4401487
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4401487&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
184.620 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
184.04 Da
Monoisotopic Mass
184.04 Da
Topological Polar Surface Area
56.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
186.000
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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