2,6-dichloro-4-(piperidine-1-carbonyl)pyridine

• ChemBase ID: 68398
• Molecular Formular: C11H12Cl2N2O
• Molecular Mass: 259.13178
• Monoisotopic Mass: 258.03266837
• SMILES: c1(cc(cc(n1)Cl)C(=O)N1CCCCC1)Cl
• Canonical SMILES: O=C(c1cc(Cl)nc(c1)Cl)N1CCCCC1
• InChI: InChI=1S/C11H12Cl2N2O/c12-9-6-8(7-10(13)14-9)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2
• InChIKey: RHHFYTMPVURVTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-(piperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2,6-dichloro-4-(piperidine-1-carbonyl)pyridine
• Synonyms: 2,6-Dichloro-4-(piperidin-1-ylcarbonyl)pyridine; (2,6-Dichloropyridin-4-yl)(piperidino)methanone; (2,6-dichloropyridin-4-yl)(piperidino)methanone

Database IDs

• CAS Number: 287196-80-9
• MDL Number: MFCD01764510
• PubChem SID: 162034129
• PubChem CID: 2782068

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5523756
• LogD (pH = 7.4): 2.5523756
• Log P: 2.5523756
• Molar Refractivity: 66.6471 cm^3
• Polarizability: 24.689705 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115°C

Safety Information

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

Product Information

• Purity: 95+%; TECH