3-bromo-6-chloro-2-fluoropyridine

• ChemBase ID: 797285
• Molecular Formular: C5H2BrClFN
• Molecular Mass: 210.4314832
• Monoisotopic Mass: 208.90431697
• SMILES: n1c(c(ccc1Cl)Br)F
• Canonical SMILES: Clc1ccc(c(n1)F)Br
• InChI: InChI=1S/C5H2BrClFN/c6-3-1-2-4(7)9-5(3)8/h1-2H
• InChIKey: VKBRLJKCZACHPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloro-2-fluoropyridine
• IUPAC Traditional name: 3-bromo-6-chloro-2-fluoropyridine
• Synonyms: 3-BroMo-6-chloro-2-fluoropyridine

Database IDs

• CAS Number: 885952-18-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8851805
• LogD (pH = 7.4): 2.8851805
• Log P: 2.8851805
• Molar Refractivity: 38.6211 cm^3
• Polarizability: 14.2589445 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%