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CAS 1379313-04-8

:

4-Methyl-6-(trifluoromethyl)-2-pyrimidinecarboxylic acid

Description:
4-Methyl-6-(trifluoromethyl)-2-pyrimidinecarboxylic acid is a heterocyclic organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. The presence of a methyl group at position 4 and a trifluoromethyl group at position 6 contributes to its unique chemical properties, including increased lipophilicity and potential biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid functional group. Its trifluoromethyl group enhances its stability and can influence its reactivity, making it of interest in medicinal chemistry and agrochemical applications. The compound's molecular structure allows for various interactions, including hydrogen bonding and π-π stacking, which can be significant in biological systems. Overall, 4-Methyl-6-(trifluoromethyl)-2-pyrimidinecarboxylic acid is a valuable compound in research, particularly in the development of pharmaceuticals and agrochemicals.
Formula:C7H5F3N2O2
InChI:InChI=1S/C7H5F3N2O2/c1-3-2-4(7(8,9)10)12-5(11-3)6(13)14/h2H,1H3,(H,13,14)
InChI key:InChIKey=ZCEQRFYPMKZYHU-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=NC(C(O)=O)=NC(C)=C1
Synonyms:
  • 4-Methyl-6-(trifluoromethyl)-2-pyrimidinecarboxylic acid
  • 2-Pyrimidinecarboxylic acid, 4-methyl-6-(trifluoromethyl)-
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