2-bromo-3-fluoro-5-methylpyridine

• ChemBase ID: 293786
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: Cc1cnc(Br)c(F)c1
• Canonical SMILES: Cc1cnc(c(c1)F)Br
• InChI: InChI=1S/C6H5BrFN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
• InChIKey: OCTPYXPSXKTDIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-fluoro-5-methylpyridine
• IUPAC Traditional name: 2-bromo-3-fluoro-5-methylpyridine
• Synonyms: 2-Bromo-3-fluoro-5-methylpyridine

Database IDs

• CAS Number: 34552-16-4
• MDL Number: MFCD09909840
• PubChem SID: 180679317
• PubChem CID: 13537536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3859708
• LogD (pH = 7.4): 2.3859713
• Log P: 2.3859713
• Molar Refractivity: 37.6237 cm^3
• Polarizability: 13.945566 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%