4-Chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine

• Catalog: OFC204394707
• CAS: 204394-70-7
• Category: Fluorinated Pyrimidines
• Purity: 95%
• MDL Number: MFCD00140056

• IUPAC Name: 4-chloro-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C10H5ClF3N3/c11-8-5-7(10(12,13)14)16-9(17-8)6-1-3-15-4-2-6/h1-5H
• InChI Key: BXRCPVMQUNIGDK-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN=CC=C1C2=NC(=CC(=N2)Cl)C(F)(F)F
• EC Number: 839-899-7

• Molecular Formula: C10H5ClF3N3
• Molecular Weight: 259.62

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 259.0124094 g/mol
• Monoisotopic Mass: 259.0124094 g/mol
• Topological Polar Surface Area: 38.7Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 256