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2-chloro-6-isopropyl-pyridine-3-carboxylic acid - 97%, high purity , CAS No.166331-65-3

COA

Grade & Purity:

≥97%

Cas Number: 166331-65-3
Molecular Weight: 199.63
PubChem CID: 83680862

In stock

Item Number

C630156

Grouped product items
SKU	Size	Availability	Price
C630156-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
C630156-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90
C630156-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$601.90

Basic Description

Synonyms	2-Chloro-6-isopropylnicotinic acid \| 166331-65-3 \| 2-chloro-6-propan-2-ylpyridine-3-carboxylic acid \| SCHEMBL4760100 \| 2-Chloro-6-isopropylnicotinicacid \| MFCD18258704 \| BS-15524 \| D83445
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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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-propan-2-ylpyridine-3-carboxylic acid
INCHI	InChI=1S/C9H10ClNO2/c1-5(2)7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13)
InChIKey	JFFDBWXZMOAYBN-UHFFFAOYSA-N
Smiles	CC(C)C1=NC(=C(C=C1)C(=O)O)Cl
Isomeric SMILES	CC(C)C1=NC(=C(C=C1)C(=O)O)Cl
PubChem CID	83680862
Molecular Weight	199.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.630 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	199.04 Da
Monoisotopic Mass	199.04 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	196.000
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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