CAS 1240622-63-2

Ethyl 2-(3-fluorophenyl)-5-pyrimidinecarboxylate

Description:

Ethyl 2-(3-fluorophenyl)-5-pyrimidinecarboxylate is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing nitrogen atoms. The presence of a 3-fluorophenyl group indicates that a fluorine atom is substituted on the phenyl ring at the meta position, which can influence the compound's reactivity and biological activity. The ethyl ester functional group contributes to its solubility and potential applications in organic synthesis and medicinal chemistry. This compound may exhibit interesting pharmacological properties due to its structural features, making it a candidate for further research in drug development. Its molecular structure suggests potential interactions with biological targets, and the fluorine substitution can enhance lipophilicity and metabolic stability. As with many pyrimidine derivatives, it may also participate in hydrogen bonding and π-π stacking interactions, which are relevant in biological systems. Overall, Ethyl 2-(3-fluorophenyl)-5-pyrimidinecarboxylate represents a versatile scaffold for further exploration in various chemical and pharmaceutical applications.

Formula: C₁₃H₁₁FN₂O₂

InChI: InChI=1S/C13H11FN2O2/c1-2-18-13(17)10-7-15-12(16-8-10)9-4-3-5-11(14)6-9/h3-8H,2H2,1H3

InChI key: InChIKey=XFYJSTBJOWUVRL-UHFFFAOYSA-N

SMILES: FC=1C=C(C=CC1)C=2N=CC(C(OCC)=O)=CN2

Synonyms:

• 5-Pyrimidinecarboxylic acid, 2-(3-fluorophenyl)-, ethyl ester
• Ethyl 2-(3-fluorophenyl)-5-pyrimidinecarboxylate