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CAS 1192263-82-3

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Ethyl 2-cyano-5-(trifluoromethyl)-3-pyridinecarboxylate

Description:
Ethyl 2-cyano-5-(trifluoromethyl)-3-pyridinecarboxylate is a chemical compound characterized by its pyridine ring structure, which includes a cyano group and a trifluoromethyl substituent. This compound typically exhibits a pale yellow to light brown appearance and is soluble in organic solvents such as ethanol and acetone, but may have limited solubility in water due to its hydrophobic trifluoromethyl group. The presence of the cyano group contributes to its reactivity, making it useful in various synthetic applications, particularly in the field of medicinal chemistry and agrochemicals. The trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity. Ethyl 2-cyano-5-(trifluoromethyl)-3-pyridinecarboxylate may also exhibit interesting electronic properties due to the electron-withdrawing nature of the trifluoromethyl group, which can affect its reactivity and interactions with other molecules. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C10H7F3N2O2
InChI:InChI=1S/C10H7F3N2O2/c1-2-17-9(16)7-3-6(10(11,12)13)5-15-8(7)4-14/h3,5H,2H2,1H3
InChI key:InChIKey=GNWHPFNFCLHUSX-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C#N)N=CC(C(F)(F)F)=C1
Synonyms:
  • 3-Pyridinecarboxylic acid, 2-cyano-5-(trifluoromethyl)-, ethyl ester
  • Ethyl 2-cyano-5-(trifluoromethyl)-3-pyridinecarboxylate
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