2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-6-(trifluoromethyl)pyrimidin-4-ol

• Catalog: OFC1582770044
• CAS: 1582770-04-4
• Category: Fluorinated Pyrimidines
• Synonyms: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
• MDL Number: MFCD27980616

• IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
• InChI: InChI=1S/C11H4ClF6N3O/c12-5-1-4(10(13,14)15)3-19-8(5)9-20-6(11(16,17)18)2-7(22)21-9/h1-3H,(H,20,21,22)
• InChI Key: HOVODPVJCPDQCY-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=NC(=C1Cl)C2=NC(=CC(=O)N2)C(F)(F)F)C(F)(F)F

• Molecular Formula: C11H4ClF6N3O
• Molecular Weight: 343.61

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 342.9947084 g/mol
• Monoisotopic Mass: 342.9947084 g/mol
• Topological Polar Surface Area: 54.4Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 527