3,5-dibromo-2-fluoro-6-methylpyridine

• ChemBase ID: 22240
• Molecular Formular: C6H4Br2FN
• Molecular Mass: 268.9090632
• Monoisotopic Mass: 266.86945135
• SMILES: c1(c(cc(c(n1)C)Br)Br)F
• Canonical SMILES: Brc1cc(Br)c(nc1C)F
• InChI: InChI=1S/C6H4Br2FN/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3
• InChIKey: ZZOBKZCUSSJOAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-fluoro-6-methylpyridine
• IUPAC Traditional name: 3,5-dibromo-2-fluoro-6-methylpyridine
• Synonyms: 3,5-Dibromo-2-fluoro-6-methylpyridine

Database IDs

• CAS Number: 632628-07-0
• MDL Number: MFCD09475419
• PubChem SID: 160985547
• PubChem CID: 26986013

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9610815
• LogD (pH = 7.4): 2.9610815
• Log P: 2.9610815
• Molar Refractivity: 44.9693 cm^3
• Polarizability: 17.090427 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%