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CAS 1221791-91-8

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Ethyl 3-chloro-5-cyano-2-pyridinecarboxylate

Description:
Ethyl 3-chloro-5-cyano-2-pyridinecarboxylate is a chemical compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a chloro substituent at the 3-position and a cyano group at the 5-position, contributing to its reactivity and potential applications in organic synthesis. The ethyl ester functional group at the 2-position enhances its solubility in organic solvents and may influence its biological activity. The presence of both the chloro and cyano groups can impart unique electronic properties, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, the compound's molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and coupling reactions. Its specific properties, such as melting point, boiling point, and solubility, would typically be determined through experimental methods, and safety data should be consulted for handling and usage in laboratory settings.
Formula:C9H7ClN2O2
InChI:InChI=1S/C9H7ClN2O2/c1-2-14-9(13)8-7(10)3-6(4-11)5-12-8/h3,5H,2H2,1H3
InChI key:InChIKey=UJGWCVFJCXXNFZ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(Cl)C=C(C#N)C=N1
Synonyms:
  • 2-Pyridinecarboxylic acid, 3-chloro-5-cyano-, ethyl ester
  • Ethyl 3-chloro-5-cyano-2-pyridinecarboxylate
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