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CAS 852388-81-9

:

2-[[3-Cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid

Description:
2-[[3-Cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid, with the CAS number 852388-81-9, is a chemical compound characterized by its unique structure that includes a pyridine ring substituted with a cyano group and a trifluoromethyl group. This compound features a thioether linkage, which contributes to its reactivity and potential biological activity. The presence of the carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit polar characteristics, enhancing its solubility in polar solvents. The trifluoromethyl group is known for imparting lipophilicity and can influence the compound's pharmacokinetic properties. Additionally, the compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Overall, the combination of functional groups and the heterocyclic nature of the compound contribute to its chemical reactivity and potential utility in various chemical and biological contexts.
Formula:C9H5F3N2O3S
InChI:InChI=1S/C9H5F3N2O3S/c10-9(11,12)5-1-6(15)14-8(4(5)2-13)18-3-7(16)17/h1H,3H2,(H,14,15)(H,16,17)
InChI key:InChIKey=BCKNFHHFPMZJJF-UHFFFAOYSA-N
SMILES:C(#N)C=1C(C(F)(F)F)=CC(=O)NC1SCC(O)=O
Synonyms:
  • 2-[[3-Cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid
  • Acetic acid, [[3-cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]-
  • [[3-Cyano-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridin-2-yl]thio]acetic acid
  • Acetic acid, 2-[[3-cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]-
  • 2-[[3-Cyano-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridin-2-yl]sulfanyl]acetic acid
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