4-bromo-2-chloro-5-fluoropyridine

• ChemBase ID: 293720
• Molecular Formular: C5H2BrClFN
• Molecular Mass: 210.4314832
• Monoisotopic Mass: 208.90431697
• SMILES: Fc1cnc(Cl)cc1Br
• Canonical SMILES: Clc1ncc(c(c1)Br)F
• InChI: InChI=1S/C5H2BrClFN/c6-3-1-5(7)9-2-4(3)8/h1-2H
• InChIKey: ZRTWQQQUONAULI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-chloro-5-fluoropyridine
• IUPAC Traditional name: 4-bromo-2-chloro-5-fluoropyridine
• Synonyms: 4-Bromo-2-chloro-5-fluoropyridine

Database IDs

• CAS Number: 884495-10-7
• MDL Number: MFCD06659500
• PubChem SID: 180679251
• PubChem CID: 40786907

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 2.4912498
• LogD (pH = 7.4): 2.4912498
• Log P: 2.4912498
• Molar Refractivity: 37.6064 cm^3
• Polarizability: 14.250889 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Product Information

• Purity: 95+%