Basic Description

Synonyms	4-Chloro-2,6-pyridinedicarboxylic acid diethyl ester
Specifications & Purity	≥98%
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	Dicarboxylic acids and derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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

Pubchem Sid	504758363
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758363
IUPAC Name	diethyl 4-chloropyridine-2,6-dicarboxylate
INCHI	InChI=1S/C11H12ClNO4/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2/h5-6H,3-4H2,1-2H3
InChIKey	XQVRVZXJZVVBLW-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)Cl
Isomeric SMILES	CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)Cl
Molecular Weight	257.67
Reaxy-Rn	219498
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=219498&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
I2301721	Certificate of Analysis	Aug 19, 2023	D193792
I2301008	Certificate of Analysis	Aug 19, 2023	D193792
I2301716	Certificate of Analysis	Aug 19, 2023	D193792
I2301733	Certificate of Analysis	Aug 19, 2023	D193792
I2301720	Certificate of Analysis	Aug 19, 2023	D193792
J2027062	Certificate of Analysis	Aug 07, 2023	D193792
J2027061	Certificate of Analysis	Aug 07, 2023	D193792
J2027060	Certificate of Analysis	Aug 07, 2023	D193792

Chemical and Physical Properties

Molecular Weight	257.670 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	257.045 Da
Monoisotopic Mass	257.045 Da
Topological Polar Surface Area	65.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	259.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Shuang Tang, Xue-Lian Hu, Yang-Sen Xu, Wen-Wu Shi, Xin-Zhong Wang, Yu-Xiang Yu, Wei-De Zhang. (2024) Breaking symmetry of carbon nitride skeleton by embedding pyridine ring to promote photocatalytic performance. APPLIED SURFACE SCIENCE, 646 (158921).

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SKU	Size	Availability	Price
D193792-250mg	250mg	3	$9.90
D193792-1g	1g	3	$14.90
D193792-5g	5g	3	$54.90

Diethyl 4-chloropyridine-2,6-dicarboxylate - 98%, high purity , CAS No.53389-01-8