4-bromo-2-fluoro-6-methylpyridine

• ChemBase ID: 292440
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: Cc1cc(Br)cc(F)n1
• Canonical SMILES: Brc1cc(C)nc(c1)F
• InChI: InChI=1S/C6H5BrFN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
• InChIKey: CUVNQRYXKKVGDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-fluoro-6-methylpyridine
• IUPAC Traditional name: 4-bromo-2-fluoro-6-methylpyridine
• Synonyms: 4-Bromo-2-fluoro-6-methylpyridine

Database IDs

• CAS Number: 1227565-50-5
• PubChem SID: 180677971
• PubChem CID: 70701055

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1923287
• LogD (pH = 7.4): 2.1923287
• Log P: 2.1923287
• Molar Refractivity: 37.3465 cm^3
• Polarizability: 13.88911 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%