CAS 126538-82-7

5-Iodo-6-(trifluoromethyl)-4(3H)-pyrimidinone

Description:

5-Iodo-6-(trifluoromethyl)-4(3H)-pyrimidinone is a heterocyclic organic compound characterized by its pyrimidinone structure, which features a pyrimidine ring with a carbonyl group and various substituents. The presence of an iodine atom at the 5-position and a trifluoromethyl group at the 6-position significantly influences its chemical properties, including its reactivity and polarity. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carbonyl group. Its trifluoromethyl group enhances lipophilicity, making it potentially useful in medicinal chemistry and agrochemical applications. The compound may also display interesting biological activities, which can be attributed to the unique electronic and steric effects of the halogen and trifluoromethyl substituents. As with many halogenated compounds, it is essential to handle it with care due to potential toxicity and environmental concerns. Overall, 5-Iodo-6-(trifluoromethyl)-4(3H)-pyrimidinone is a valuable compound in the field of synthetic organic chemistry.

Formula: C₅H₂F₃IN₂O

InChI: InChI=1S/C5H2F3IN2O/c6-5(7,8)3-2(9)4(12)11-1-10-3/h1H,(H,10,11,12)

InChI key: InChIKey=CUCFZLFJNGYXRT-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(I)C(=O)N=CN1

Synonyms:

• 5-Iodo-6-(trifluoromethyl)-4(3H)-pyrimidinone
• 4(1H)-Pyrimidinone, 5-iodo-6-(trifluoromethyl)-
• 4(3H)-Pyrimidinone, 5-iodo-6-(trifluoromethyl)-