CAS 1119453-11-0

4-[[6-(4-Fluorophenyl)-4-pyrimidinyl]amino]benzoic acid

Description:

4-[[6-(4-Fluorophenyl)-4-pyrimidinyl]amino]benzoic acid, identified by its CAS number 1119453-11-0, is a chemical compound characterized by its complex structure that includes a benzoic acid moiety and a pyrimidine ring. This compound features a fluorophenyl group, which contributes to its unique electronic properties and potential biological activity. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. The presence of both amino and carboxylic acid functional groups suggests that it can participate in hydrogen bonding, influencing its reactivity and interactions with other molecules. This compound may be of interest in pharmaceutical research, particularly in the development of targeted therapies, due to its potential role as a ligand or inhibitor in various biological pathways. Its stability, reactivity, and solubility characteristics would be essential for applications in drug formulation and synthesis.

Formula: C₁₇H₁₂FN₃O₂

InChI: InChI=1S/C17H12FN3O2/c18-13-5-1-11(2-6-13)15-9-16(20-10-19-15)21-14-7-3-12(4-8-14)17(22)23/h1-10H,(H,22,23)(H,19,20,21)

InChI key: InChIKey=FZQRLJNZWCCTIA-UHFFFAOYSA-N

SMILES: N(C1=CC(=NC=N1)C2=CC=C(F)C=C2)C3=CC=C(C(O)=O)C=C3

Synonyms:

• Benzoic acid, 4-[[6-(4-fluorophenyl)-4-pyrimidinyl]amino]-
• 4-[[6-(4-Fluorophenyl)-4-pyrimidinyl]amino]benzoic acid