5-bromo-2-(piperidine-1-carbonyl)pyridine

• ChemBase ID: 75766
• Molecular Formular: C11H13BrN2O
• Molecular Mass: 269.13772
• Monoisotopic Mass: 268.02112505
• SMILES: N1(C(=O)c2ncc(cc2)Br)CCCCC1
• Canonical SMILES: Brc1ccc(nc1)C(=O)N1CCCCC1
• InChI: InChI=1S/C11H13BrN2O/c12-9-4-5-10(13-8-9)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
• InChIKey: LXRFKLKDVHGHIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 934000-33-6
• MDL Number: MFCD08458472
• PubChem SID: 162040684
• PubChem CID: 26370112

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0585346
• LogD (pH = 7.4): 2.0585349
• Log P: 2.0585349
• Molar Refractivity: 62.1657 cm^3
• Polarizability: 23.592178 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant