2-(bromomethyl)-6-(propan-2-yl)pyridine

• ChemBase ID: 245364
• Molecular Formular: C9H12BrN
• Molecular Mass: 214.10228
• Monoisotopic Mass: 213.01531139
• SMILES: n1c(C(C)C)cccc1CBr
• Canonical SMILES: BrCc1cccc(n1)C(C)C
• InChI: InChI=1S/C9H12BrN/c1-7(2)9-5-3-4-8(6-10)11-9/h3-5,7H,6H2,1-2H3
• InChIKey: DNFLPQFSDKFUCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-6-(propan-2-yl)pyridine
• IUPAC Traditional name: 2-(bromomethyl)-6-isopropylpyridine
• Synonyms: 2-(bromomethyl)-6-(propan-2-yl)pyridine

Database IDs

• MDL Number: MFCD18259890
• PubChem SID: 164301274
• PubChem CID: 21874743

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.932227
• LogD (pH = 7.4): 2.9839725
• Log P: 2.984675
• Molar Refractivity: 50.0222 cm^3
• Polarizability: 19.365839 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.854

Product Information

• Purity: 95%