2-bromo-6-(piperidin-4-yl)pyridine

• ChemBase ID: 802836
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: n1c(cccc1C1CCNCC1)Br
• Canonical SMILES: Brc1cccc(n1)C1CCNCC1
• InChI: InChI=1S/C10H13BrN2/c11-10-3-1-2-9(13-10)8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
• InChIKey: GXFBOVFZFPEMRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(piperidin-4-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(piperidin-4-yl)pyridine
• Synonyms: 2-BROMO-6-(PIPERIDIN-4-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2518227
• LogD (pH = 7.4): -0.5158938
• Log P: 1.9647961
• Molar Refractivity: 57.3892 cm^3
• Polarizability: 22.157934 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%