CAS 1261991-57-4

Methyl 3-(1,2-dihydro-2-oxo-5-pyrimidinyl)-4-fluorobenzoate

Description:

Methyl 3-(1,2-dihydro-2-oxo-5-pyrimidinyl)-4-fluorobenzoate is a chemical compound characterized by its unique structure, which includes a methyl ester functional group, a fluorobenzene moiety, and a pyrimidine derivative. The presence of the fluorine atom in the benzoate ring can influence the compound's reactivity and biological activity, often enhancing lipophilicity and altering electronic properties. The pyrimidine ring contributes to the compound's potential pharmacological properties, as pyrimidines are commonly found in various bioactive molecules, including nucleic acids and pharmaceuticals. This compound may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in areas related to cancer or infectious diseases, where pyrimidine derivatives are often explored. As with many organic compounds, its solubility, stability, and reactivity can vary based on environmental conditions, making it essential to consider these factors in practical applications.

Formula: C₁₂H₉FN₂O₃

InChI: InChI=1S/C12H9FN2O3/c1-18-11(16)7-2-3-10(13)9(4-7)8-5-14-12(17)15-6-8/h2-6H,1H3,(H,14,15,17)

InChI key: InChIKey=GUMYVZRFOIACTM-UHFFFAOYSA-N

SMILES: FC=1C(=CC(C(OC)=O)=CC1)C2=CNC(=O)N=C2

Synonyms:

• Benzoic acid, 3-(1,2-dihydro-2-oxo-5-pyrimidinyl)-4-fluoro-, methyl ester
• Methyl 3-(1,2-dihydro-2-oxo-5-pyrimidinyl)-4-fluorobenzoate