4-Pyridinecarboxylic acid, 2,5-dichloro-, ethyl ester


Chemical Name: 4-Pyridinecarboxylic acid, 2,5-dichloro-, ethyl ester
CAS Number: 603122-76-5
Product Number: AG00EIZ7(AGN-PC-0559PP)
Synonyms:
MDL No: MFCD09972252
Molecular Formula: C8H7Cl2NO2
Molecular Weight: 220.0527

Identification/Properties


Computed Properties
Molecular Weight:
220.049g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
218.985g/mol
Monoisotopic Mass:
218.985g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
189
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2,5-dichloroisonicotinate is a valuable compound that finds widespread application in chemical synthesis, particularly in the field of pharmaceuticals and agrochemicals. This compound serves as a versatile building block in the synthesis of various bioactive molecules due to its unique structural features and reactivity.In organic synthesis, Ethyl 2,5-dichloroisonicotinate is commonly utilized as a key intermediate for the preparation of diverse pharmacologically active compounds. It can undergo various substitution, addition, or coupling reactions to introduce specific functional groups or modify its structure, allowing chemists to tailor the properties of the final products for specific applications.Furthermore, Ethyl 2,5-dichloroisonicotinate serves as a valuable precursor for the synthesis of heterocyclic compounds, which are crucial scaffolds in drug discovery and development. By incorporating this compound into the molecular structure, chemists can access novel chemical entities with enhanced biological activities or improved pharmaceutical properties.Overall, the strategic use of Ethyl 2,5-dichloroisonicotinate in chemical synthesis enables the efficient and divergent synthesis of complex molecules with potential applications in the pharmaceutical and agrochemical industries.