CAS 851208-01-0

3-Chloro-2-oxo-5-(trifluoromethyl)-1(2H)-pyridineacetic acid

Description:

3-Chloro-2-oxo-5-(trifluoromethyl)-1(2H)-pyridineacetic acid 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 and a trifluoromethyl group, which significantly influence its chemical reactivity and physical properties. The presence of the carboxylic acid functional group contributes to its acidity and potential for hydrogen bonding. The trifluoromethyl group enhances lipophilicity and can affect the compound's biological activity, making it of interest in pharmaceutical research. The compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents. Its unique structure allows for various applications, particularly in medicinal chemistry, where it may serve as a building block for the synthesis of more complex molecules. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks.

Formula: C₈H₅ClF₃NO₃

InChI: InChI=1S/C8H5ClF3NO3/c9-5-1-4(8(10,11)12)2-13(7(5)16)3-6(14)15/h1-2H,3H2,(H,14,15)

InChI key: InChIKey=DMFPEEFRMXLMLJ-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1C=C(C(F)(F)F)C=C(Cl)C1=O

Synonyms:

• 2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
• 2-[3-Chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetic acid
• 3-Chloro-2-oxo-5-(trifluoromethyl)-1(2H)-pyridineacetic acid
• 1(2H)-Pyridineacetic acid, 3-chloro-2-oxo-5-(trifluoromethyl)-
• [3-Chloro-2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]acetic acid