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2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide - 97%, high purity , CAS No.386704-05-8

COA

Grade & Purity:

≥97%

Cas Number: 386704-05-8
Molecular Weight: 224.57
EC Number: 671-759-9
PubChem CID: 2778438

In stock

Item Number

C633766

Grouped product items
SKU	Size	Availability	Price
C633766-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
C633766-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
C633766-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$214.90

Basic Description

Synonyms	AC-33511 \| SY001243 \| A873800 \| SB79941 \| 2-Chloro-6-(trifluoromethyl)nicotinamide, AldrichCPR \| AKOS005145608 \| 2-Chloro-6-(trifluoromethyl)nicotinamide \| SCHEMBL3453722 \| s12147 \| 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide \| 3-Pyridinecarboxamid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives
      - Level5 Pyridinecarboxamides
        Level6 Nicotinamides

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 Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nicotinamide - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Names and Identifiers

IUPAC Name	2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide
INCHI	InChI=1S/C7H4ClF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14)
InChIKey	JBTBDGVGPLLRLS-UHFFFAOYSA-N
Smiles	C1=CC(=NC(=C1C(=O)N)Cl)C(F)(F)F
Isomeric SMILES	C1=CC(=NC(=C1C(=O)N)Cl)C(F)(F)F
Alternate CAS	386704-05-8
PubChem CID	2778438
Molecular Weight	224.57

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	198-200
Molecular Weight	224.570 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	223.996 Da
Monoisotopic Mass	223.996 Da
Topological Polar Surface Area	56.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	233.000
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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