2-Chloro-N-cyclohexylnicotinamide - 99%, high purity , CAS No.57841-70-0

Name: 2-Chloro-N-cyclohexylnicotinamide - 99%, high purity , CAS No.57841-70-0
Price: 35.9 USD
Availability: InStock

Grade & Purity:

In stock

Item Number

C300357

Grouped product items
SKU	Size	Availability	Price
C300357-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$35.90
C300357-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90
C300357-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$335.90
C300357-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,347.90

Synonyms	2-chloro-N-cyclohexylnicotinamide \| 57841-70-0 \| 2-chloro-N-cyclohexylpyridine-3-carboxamide \| Oprea1_526762 \| Oprea1_752136 \| SCHEMBL3165964 \| CHEMBL1861112 \| DTXSID60389969 \| DWMGLWCQLGOYOC-UHFFFAOYSA-N \| DNDI902913 \| MFCD01344059 \| AKOS000158267 \| NCGC00329791-01 \| CS-0132469 \| 2
Specifications & Purity	≥99%
Shipped In	Normal

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 chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nicotinamide - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - 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
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. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	2-chloro-N-cyclohexylpyridine-3-carboxamide
INCHI	InChI=1S/C12H15ClN2O/c13-11-10(7-4-8-14-11)12(16)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16)
InChIKey	DWMGLWCQLGOYOC-UHFFFAOYSA-N
Smiles	C1CCC(CC1)NC(=O)C2=C(N=CC=C2)Cl
Isomeric SMILES	C1CCC(CC1)NC(=O)C2=C(N=CC=C2)Cl
Molecular Weight	238.72
Reaxy-Rn	400709
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=400709&ln=

Melt Point(°C)	128-133 °C
Molecular Weight	238.710 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	238.087 Da
Monoisotopic Mass	238.087 Da
Topological Polar Surface Area	42.000 Å²
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

Basic Description