CAS 1086380-02-0

2-[3-(Trifluoromethoxy)phenyl]-3-pyridinecarboxylic acid

Description:

2-[3-(Trifluoromethoxy)phenyl]-3-pyridinecarboxylic acid, identified by its CAS number 1086380-02-0, is a chemical compound characterized by its unique structural features, which include a pyridine ring and a phenyl group substituted with a trifluoromethoxy group. This compound exhibits properties typical of carboxylic acids, such as the ability to form hydrogen bonds and participate in acid-base reactions. The presence of the trifluoromethoxy group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. Additionally, the compound's molecular structure suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Its stability and reactivity can be influenced by the electronic effects of the trifluoromethoxy substituent, which may also affect its solubility in various solvents. Overall, this compound represents a valuable entity for further investigation in both synthetic and applied chemistry contexts.

Formula: C₁₃H₈F₃NO₃

InChI: InChI=1S/C13H8F3NO3/c14-13(15,16)20-9-4-1-3-8(7-9)11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)

InChI key: InChIKey=GCXMLSQKOJVMOO-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(N=CC=C1)C2=CC(OC(F)(F)F)=CC=C2

Synonyms:

• 3-Pyridinecarboxylic acid, 2-[3-(trifluoromethoxy)phenyl]-
• 2-[3-(Trifluoromethoxy)phenyl]-3-pyridinecarboxylic acid