CAS 731793-33-2

1-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetyl]-4-piperidinecarboxylic acid

Description:

1-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetyl]-4-piperidinecarboxylic acid, identified by its CAS number 731793-33-2, is a chemical compound that features a complex structure incorporating a piperidine ring, a pyridine moiety, and a thioacetyl group. This compound is characterized by the presence of a chloro substituent and a trifluoromethyl group on the pyridine ring, which can significantly influence its chemical reactivity and biological activity. The carboxylic acid functional group contributes to its acidity and potential for forming salts or esters. The compound's unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its properties, such as solubility, stability, and reactivity, can be influenced by the presence of the halogen and trifluoromethyl groups, making it a subject of interest for further research in drug design and synthesis.

Formula: C₁₄H₁₄ClF₃N₂O₃S

InChI: InChI=1S/C14H14ClF3N2O3S/c15-10-5-9(14(16,17)18)6-19-12(10)24-7-11(21)20-3-1-8(2-4-20)13(22)23/h5-6,8H,1-4,7H2,(H,22,23)

InChI key: InChIKey=LXFSHIWOBZKOAF-UHFFFAOYSA-N

SMILES: S(CC(=O)N1CCC(C(O)=O)CC1)C2=C(Cl)C=C(C(F)(F)F)C=N2

Synonyms:

• 4-Piperidinecarboxylic acid, 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetyl]-
• 4-Piperidinecarboxylic acid, 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetyl]-
• 1-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetyl]-4-piperidinecarboxylic acid