2-bromo-6-cyclohexylpyridine

• ChemBase ID: 804854
• Molecular Formular: C11H14BrN
• Molecular Mass: 240.13956
• Monoisotopic Mass: 239.03096145
• SMILES: n1c(cccc1C1CCCCC1)Br
• Canonical SMILES: Brc1cccc(n1)C1CCCCC1
• InChI: InChI=1S/C11H14BrN/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
• InChIKey: JKFSCIIMZPOGKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-cyclohexylpyridine
• IUPAC Traditional name: 2-bromo-6-cyclohexylpyridine
• Synonyms: 2-BROMO-6-CYCLOHEXYLPYRIDINE

Database IDs

• CAS Number: 1017781-62-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9746387
• LogD (pH = 7.4): 3.9747193
• Log P: 3.9747205
• Molar Refractivity: 58.1598 cm^3
• Polarizability: 22.453926 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%