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

• ChemBase ID: 48647
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: c1(N2CCCCC2)ncc(cc1)Br
• Canonical SMILES: Brc1ccc(nc1)N1CCCCC1
• InChI: InChI=1S/C10H13BrN2/c11-9-4-5-10(12-8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
• InChIKey: AEDSMUUEBQNEAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 5-bromo-2-(piperidin-1-yl)pyridine
• Synonyms: 5-Bromo-2-(1-piperidinyl)pyridine; 1-(5-Bromopyridin-2-yl)piperidine; 5-Bromo-2-(piperidin-1-yl)pyridine

Database IDs

• CAS Number: 149806-47-3; 24255-95-6
• MDL Number: MFCD00234654
• PubChem SID: 162053410
• PubChem CID: 16414209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0208893
• LogD (pH = 7.4): 3.076434
• Log P: 3.0771935
• Molar Refractivity: 58.408 cm^3
• Polarizability: 21.81845 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%