2-bromo-3-fluoro-6-methylpyridine

• ChemBase ID: 68030
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: c1(c(ccc(n1)C)F)Br
• Canonical SMILES: Cc1ccc(c(n1)Br)F
• InChI: InChI=1S/C6H5BrFN/c1-4-2-3-5(8)6(7)9-4/h2-3H,1H3
• InChIKey: KKVUMKHUMBXLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-fluoro-6-methylpyridine
• IUPAC Traditional name: 2-bromo-3-fluoro-6-methylpyridine
• Synonyms: 2-Bromo-3-fluoro-6-picoline; 2-Bromo-3-fluoro-6-picoline; 2-Bromo-3-fluoro-6-methylpyridine

Database IDs

• CAS Number: 374633-36-0
• MDL Number: MFCD03095061
• PubChem SID: 162033762
• PubChem CID: 24820318

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0039196
• LogD (pH = 7.4): 2.00392
• Log P: 2.00392
• Molar Refractivity: 37.174 cm^3
• Polarizability: 13.945687 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%