CAS 885461-44-9

3,6-Dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

Description:

3,6-Dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is a heterocyclic compound characterized by its unique thieno-pyridine structure, which incorporates both sulfur and nitrogen atoms in its ring system. The presence of two methyl groups at the 3 and 6 positions contributes to its hydrophobic character, while the trifluoromethyl group at the 4 position enhances its lipophilicity and may influence its biological activity. The carboxylic acid functional group at the 2 position introduces acidity and potential for hydrogen bonding, making it a polar compound. This compound is of interest in medicinal chemistry due to its potential pharmacological properties, particularly in the development of pharmaceuticals targeting various biological pathways. Its molecular structure allows for diverse interactions with biological targets, which can be explored in drug design and development. Additionally, the trifluoromethyl group is known to improve metabolic stability and bioavailability, making this compound a candidate for further research in therapeutic applications.

Formula: C₁₁H₈F₃NO₂S

InChI: InChI=1S/C11H8F3NO2S/c1-4-3-6(11(12,13)14)7-5(2)8(10(16)17)18-9(7)15-4/h3H,1-2H3,(H,16,17)

InChI key: InChIKey=LNZIYUHBIAJPDP-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C2C(SC(C(O)=O)=C2C)=NC(C)=C1

Synonyms:

• Thieno[2,3-b]pyridine-2-carboxylic acid, 3,6-dimethyl-4-(trifluoromethyl)-
• 3,6-Dimethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid