3-bromo-5-chloro-2-fluoropyridine

• ChemBase ID: 95138
• Molecular Formular: C5H2BrClFN
• Molecular Mass: 210.4314832
• Monoisotopic Mass: 208.90431697
• SMILES: n1c(c(cc(c1)Cl)Br)F
• Canonical SMILES: Clc1cnc(c(c1)Br)F
• InChI: InChI=1S/C5H2BrClFN/c6-4-1-3(7)2-9-5(4)8/h1-2H
• InChIKey: FKHJIEHQWOYVQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chloro-2-fluoropyridine
• IUPAC Traditional name: 3-bromo-5-chloro-2-fluoropyridine
• Synonyms: 3-Bromo-5-chloro-2-fluoropyridine

Database IDs

• CAS Number: 884494-87-5; 884494-36-4
• MDL Number: MFCD04972409
• PubChem SID: 162081788
• PubChem CID: 40427010

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6650033
• LogD (pH = 7.4): 2.6650033
• Log P: 2.6650033
• Molar Refractivity: 37.5598 cm^3
• Polarizability: 14.214641 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 95+%; 97%; 98%