CAS 872780-98-8

5-(Trifluoromethyl)-4-pyridazinecarboxylic acid

Description:

5-(Trifluoromethyl)-4-pyridazinecarboxylic acid is a heterocyclic organic compound characterized by the presence of a pyridazine ring, which is a six-membered aromatic ring containing two nitrogen atoms. The trifluoromethyl group (-CF3) attached to the fifth position of the pyridazine ring significantly influences the compound's chemical properties, enhancing its lipophilicity and potentially its biological activity. The carboxylic acid functional group (-COOH) at the fourth position contributes to its acidity and reactivity, allowing for various chemical transformations. This compound is typically used in pharmaceutical research and development due to its potential as a building block for biologically active molecules. Its unique electronic properties, derived from the trifluoromethyl group, may also affect its interactions with biological targets. Additionally, the presence of fluorine atoms often enhances metabolic stability and alters the pharmacokinetics of compounds in medicinal chemistry. Overall, 5-(Trifluoromethyl)-4-pyridazinecarboxylic acid is a valuable compound in the field of organic synthesis and drug discovery.

Formula: C₆H₃F₃N₂O₂

InChI: InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-11-10-1-3(4)5(12)13/h1-2H,(H,12,13)

InChI key: InChIKey=KBFSXOBOSXAMLE-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C(C(O)=O)=CN=NC1

Synonyms:

• 5-(Trifluoromethyl)-4-pyridazinecarboxylic acid
• 5-(Trifluoromethyl)pyridazine-4-carboxylic acid
• 4-Pyridazinecarboxylic acid, 5-(trifluoromethyl)-