CAS 42779-83-9

1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid

Description:

1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid, with the CAS number 42779-83-9, is a chemical compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. The presence of a 4-fluorophenyl group indicates that a fluorine atom is substituted on the phenyl ring, which can influence the compound's electronic properties and reactivity. The two methyl groups at the 2 and 5 positions of the pyrrole ring contribute to its steric and electronic characteristics, potentially affecting its biological activity. The acetic acid functional group at the 3 position introduces acidity and can participate in hydrogen bonding, enhancing solubility in polar solvents. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its unique structure suggests potential applications in drug development, particularly in targeting specific biological pathways. However, detailed studies on its biological activity, toxicity, and pharmacokinetics would be necessary to fully understand its potential uses.

Formula: C₁₄H₁₄FNO₂

InChI: InChI=1S/C14H14FNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)

InChI key: InChIKey=MUUKTZUQKRDEPH-UHFFFAOYSA-N

SMILES: CC=1N(C(C)=CC1CC(O)=O)C2=CC=C(F)C=C2

Synonyms:

• 2-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid
• 1H-Pyrrole-3-acetic acid, 1-(4-fluorophenyl)-2,5-dimethyl-
• 1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid

2-[1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid

CAS: 42779-83-9

Versatile small molecule scaffold

Formula: C₁₄H₁₄FNO₂

Purity: Min. 95%

Molecular weight: 247.26 g/mol

Ref: 3D-SBA77983