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methyl 3-chloro-2-cyano-pyridine-4-carboxylate - 97%, high purity , CAS No.1168102-35-9

COA

Grade & Purity:

≥97%

Cas Number: 1168102-35-9
Molecular Weight: 196.59
PubChem CID: 59565227

In stock

Item Number

M627088

Grouped product items
SKU	Size	Availability	Price
M627088-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
M627088-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90
M627088-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,329.90

Basic Description

Synonyms	methyl 3-chloro-2-cyano-pyridine-4-carboxylate \| 1168102-35-9 \| 3-Chloro-2-cyanoisonicotinic acid methyl ester \| methyl 3-chloro-2-cyanopyridine-4-carboxylate \| SCHEMBL1972332 \| MFCD20482789 \| SB74490 \| AS-78606 \| CS-0184707 \| P19229 \| 3-Chloro-2-cyano-is
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	Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Aryl chloride - Aryl halide - Methyl ester - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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	methyl 3-chloro-2-cyanopyridine-4-carboxylate
INCHI	InChI=1S/C8H5ClN2O2/c1-13-8(12)5-2-3-11-6(4-10)7(5)9/h2-3H,1H3
InChIKey	MGZDOMRTMXPJMU-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=NC=C1)C#N)Cl
Isomeric SMILES	COC(=O)C1=C(C(=NC=C1)C#N)Cl
PubChem CID	59565227
Molecular Weight	196.59

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.590 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	196.004 Da
Monoisotopic Mass	196.004 Da
Topological Polar Surface Area	63.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	248.000
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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