3,5-dibromo-2-fluoro-4-methylpyridine

• ChemBase ID: 100604
• Molecular Formular: C6H4Br2FN
• Molecular Mass: 268.9090632
• Monoisotopic Mass: 266.86945135
• SMILES: n1c(c(c(c(c1)Br)C)Br)F
• Canonical SMILES: Brc1cnc(c(c1C)Br)F
• InChI: InChI=1S/C6H4Br2FN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
• InChIKey: LAOILGACTMFPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-fluoro-4-methylpyridine
• IUPAC Traditional name: 3,5-dibromo-2-fluoro-4-methylpyridine
• Synonyms: 3,5-Dibromo-2-fluoro-4-methylpyridine

Database IDs

• MDL Number: MFCD09864703
• PubChem SID: 162086882
• PubChem CID: 26986397

CALCULATED PROPERTIES

• Log P: 3.3431327
• Molar Refractivity: 45.419 cm^3
• Polarizability: 17.090012 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3431327
• LogD (pH = 7.4): 3.3431327

PROPERTIES

Safety Information

• Storage Warning: Toxic