2-bromo-6-fluoro-4-methylpyridine

• ChemBase ID: 66224
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: c1(cc(cc(n1)F)C)Br
• Canonical SMILES: Cc1cc(F)nc(c1)Br
• InChI: InChI=1S/C6H5BrFN/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
• InChIKey: CIDWWTCSJWQJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 180608-37-1
• MDL Number: MFCD09839269
• PubChem SID: 162031963
• PubChem CID: 29919366

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.779902
• LogD (pH = 7.4): 2.779902
• Log P: 2.779902
• Molar Refractivity: 38.6384 cm^3
• Polarizability: 13.937687 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: 98%