4-bromo-5-fluoro-2-methylpyridine

• ChemBase ID: 291360
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: Cc1ncc(F)c(Br)c1
• Canonical SMILES: Cc1ncc(c(c1)Br)F
• InChI: InChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)3-9-4/h2-3H,1H3
• InChIKey: MENOXSCJWFSFHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-5-fluoro-2-methylpyridine
• IUPAC Traditional name: 4-bromo-5-fluoro-2-methylpyridine
• Synonyms: 4-Bromo-5-fluoro-2-methylpyridine

Database IDs

• CAS Number: 1211590-24-7
• MDL Number: MFCD18251020
• PubChem SID: 180676891
• PubChem CID: 57374634

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7982024
• LogD (pH = 7.4): 1.7983956
• Log P: 1.7983981
• Molar Refractivity: 36.3318 cm^3
• Polarizability: 13.895523 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%