2-bromo-6-(piperidin-1-yl)pyridine

• ChemBase ID: 90199
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: n1c(cccc1N1CCCCC1)Br
• Canonical SMILES: Brc1cccc(n1)N1CCCCC1
• InChI: InChI=1S/C10H13BrN2/c11-9-5-4-6-10(12-9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2
• InChIKey: YHQZMCNKHWPFBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(piperidin-1-yl)pyridine
• Synonyms: 2-bromo-6-piperidinopyridine; 2-Bromo-6-(piperidin-1-yl)pyridine

Database IDs

• CAS Number: 24255-97-8
• MDL Number: MFCD07772823
• PubChem SID: 162077037
• PubChem CID: 7164597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2817926
• LogD (pH = 7.4): 3.2827039
• Log P: 3.2827156
• Molar Refractivity: 59.2502 cm^3
• Polarizability: 21.868725 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-112°C/0.1mm

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%; 98%