4,5-Dichloro-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-6-methylpyrimidine

• Catalog: OFC2379918508
• CAS: 2379918-50-8
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD31812110

• IUPAC Name: 4,5-dichloro-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-methylpyrimidine
• InChI: InChI=1S/C11H5Cl3F3N3/c1-4-7(13)9(14)20-10(19-4)8-6(12)2-5(3-18-8)11(15,16)17/h2-3H,1H3
• InChI Key: LINMJKWSOBRDMN-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C(=NC(=N1)C2=C(C=C(C=N2)C(F)(F)F)Cl)Cl)Cl

• Molecular Formula: C11H5Cl3F3N3
• Molecular Weight: 342.53

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 340.950115 g/mol
• Monoisotopic Mass: 340.950115 g/mol
• Topological Polar Surface Area: 38.7Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 345