2,3-dichloro-5-(piperidine-1-carbonyl)pyridine

• ChemBase ID: 260403
• Molecular Formular: C11H12Cl2N2O
• Molecular Mass: 259.13178
• Monoisotopic Mass: 258.03266837
• SMILES: c1(C(=O)N2CCCCC2)cc(c(nc1)Cl)Cl
• Canonical SMILES: O=C(c1cnc(c(c1)Cl)Cl)N1CCCCC1
• InChI: InChI=1S/C11H12Cl2N2O/c12-9-6-8(7-14-10(9)13)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2
• InChIKey: AXSJDGHQFMXGFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-5-(piperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2,3-dichloro-5-(piperidine-1-carbonyl)pyridine
• Synonyms: 2,3-dichloro-5-(piperidin-1-ylcarbonyl)pyridine

Database IDs

• MDL Number: MFCD09806137
• PubChem SID: 164316313
• PubChem CID: 20112373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3321981
• LogD (pH = 7.4): 2.3321984
• Log P: 2.3321984
• Molar Refractivity: 65.5858 cm^3
• Polarizability: 24.671164 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 2.014

Product Information

• Purity: 95%