2,6-dichloro-3-fluoro-5-(piperidine-1-carbonyl)pyridine

• ChemBase ID: 96751
• Molecular Formular: C11H11Cl2FN2O
• Molecular Mass: 277.1222432
• Monoisotopic Mass: 276.02324656
• SMILES: n1c(c(cc(c1Cl)F)C(=O)N1CCCCC1)Cl
• Canonical SMILES: O=C(c1cc(F)c(nc1Cl)Cl)N1CCCCC1
• InChI: InChI=1S/C11H11Cl2FN2O/c12-9-7(6-8(14)10(13)15-9)11(17)16-4-2-1-3-5-16/h6H,1-5H2
• InChIKey: MKIGYKRJIKJKDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-fluoro-5-(piperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2,6-dichloro-3-fluoro-5-(piperidine-1-carbonyl)pyridine
• Synonyms: (2,6-dichloro-5-fluoropyridin-3-yl)(piperidino)methanone

Database IDs

• MDL Number: MFCD01765489
• PubChem SID: 162083400
• PubChem CID: 737296

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6950774
• LogD (pH = 7.4): 2.6950777
• Log P: 2.6950777
• Molar Refractivity: 66.8635 cm^3
• Polarizability: 24.513397 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true