5-bromo-4-methyl-2-(piperidin-1-yl)pyridine

• ChemBase ID: 48289
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: c1(ncc(c(c1)C)Br)N1CCCCC1
• Canonical SMILES: Cc1cc(ncc1Br)N1CCCCC1
• InChI: InChI=1S/C11H15BrN2/c1-9-7-11(13-8-10(9)12)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
• InChIKey: AZPZBLXCARBYPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-methyl-2-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 5-bromo-4-methyl-2-(piperidin-1-yl)pyridine
• Synonyms: 5-Bromo-4-methyl-2-(1-piperidinyl)pyridine

Database IDs

• MDL Number: MFCD13561791
• PubChem SID: 162053052
• PubChem CID: 53410213

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2588747
• LogD (pH = 7.4): 3.5841482
• Log P: 3.590615
• Molar Refractivity: 63.4492 cm^3
• Polarizability: 23.568417 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