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

• ChemBase ID: 290598
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: Brc1cc(N2CCCCC2)ncc1
• Canonical SMILES: Brc1ccnc(c1)N1CCCCC1
• InChI: InChI=1S/C10H13BrN2/c11-9-4-5-12-10(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
• InChIKey: SRJWDPFVNPQGDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 24255-98-9
• PubChem SID: 180676129
• PubChem CID: 4172707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.868482
• LogD (pH = 7.4): 3.0737636
• Log P: 3.0771935
• Molar Refractivity: 58.408 cm^3
• Polarizability: 21.814293 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%