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

• ChemBase ID: 62355
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: n1c(C2CCN(CC2)C)ccc(c1)Br
• Canonical SMILES: CN1CCC(CC1)c1ccc(cn1)Br
• InChI: InChI=1S/C11H15BrN2/c1-14-6-4-9(5-7-14)11-3-2-10(12)8-13-11/h2-3,8-9H,4-7H2,1H3
• InChIKey: TZPWMJHBKSISOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(1-methylpiperidin-4-yl)pyridine
• IUPAC Traditional name: 5-bromo-2-(1-methylpiperidin-4-yl)pyridine
• Synonyms: 5-Bromo-1'-methyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl

Database IDs

• MDL Number: MFCD18381573
• PubChem SID: 162028094
• PubChem CID: 58042097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.88945717
• LogD (pH = 7.4): 0.81357276
• Log P: 2.142322
• Molar Refractivity: 61.8417 cm^3
• Polarizability: 23.931864 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false