4-bromo-2-(chloromethyl)-6-fluoropyridine

• ChemBase ID: 801687
• Molecular Formular: C6H4BrClFN
• Molecular Mass: 224.4580632
• Monoisotopic Mass: 222.91996703
• SMILES: n1c(cc(cc1F)Br)CCl
• Canonical SMILES: ClCc1cc(Br)cc(n1)F
• InChI: InChI=1S/C6H4BrClFN/c7-4-1-5(3-8)10-6(9)2-4/h1-2H,3H2
• InChIKey: SRZZBRPJSPTOKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(chloromethyl)-6-fluoropyridine
• IUPAC Traditional name: 4-bromo-2-(chloromethyl)-6-fluoropyridine
• Synonyms: 4-BROMO-2-(CHLOROMETHYL)-6-FLUOROPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7296727
• LogD (pH = 7.4): 2.7296727
• Log P: 2.7296727
• Molar Refractivity: 42.0997 cm^3
• Polarizability: 15.917022 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%