5-bromo-2-(piperidin-4-yl)pyridine

• ChemBase ID: 813923
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: n1c(ccc(c1)Br)C1CCNCC1
• Canonical SMILES: Brc1ccc(nc1)C1CCNCC1
• InChI: InChI=1S/C10H13BrN2/c11-9-1-2-10(13-7-9)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2
• InChIKey: NJJRJGVTDADMTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(piperidin-4-yl)pyridine
• IUPAC Traditional name: 5-bromo-2-(piperidin-4-yl)pyridine
• Synonyms: 5-bromo-2-(piperidin-4-yl)pyridine

Database IDs

• CAS Number: 845788-60-5

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4578918
• LogD (pH = 7.4): -0.7279866
• Log P: 1.7592741
• Molar Refractivity: 56.547 cm^3
• Polarizability: 22.10738 Å^3
• Polar Surface Area: 24.92 Å^2

PROPERTIES

Product Information

• Purity: 98%