2-bromo-6-(4-methylpiperidin-1-yl)pyridine

• ChemBase ID: 804094
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: n1c(cccc1N1CCC(CC1)C)Br
• Canonical SMILES: CC1CCN(CC1)c1cccc(n1)Br
• InChI: InChI=1S/C11H15BrN2/c1-9-5-7-14(8-6-9)11-4-2-3-10(12)13-11/h2-4,9H,5-8H2,1H3
• InChIKey: HBFYWMZWKQXDFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(4-methylpiperidin-1-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(4-methylpiperidin-1-yl)pyridine
• Synonyms: 2-BROMO-6-(4-METHYLPIPERIDIN-1-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5688121
• LogD (pH = 7.4): 3.5697231
• Log P: 3.5697346
• Molar Refractivity: 63.7988 cm^3
• Polarizability: 23.691273 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%