5-fluoro-2-(piperidin-1-yl)pyridine

• ChemBase ID: 290834
• Molecular Formular: C10H13FN2
• Molecular Mass: 180.2220232
• Monoisotopic Mass: 180.10627665
• SMILES: Fc1cnc(N2CCCCC2)cc1
• Canonical SMILES: Fc1ccc(nc1)N1CCCCC1
• InChI: InChI=1S/C10H13FN2/c11-9-4-5-10(12-8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
• InChIKey: MBKOZTCIBFWICF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 5-fluoro-2-(piperidin-1-yl)pyridine
• Synonyms: 5-Fluoro-2-(piperidin-1-yl)pyridine

Database IDs

• CAS Number: 1287218-71-6
• PubChem SID: 180676365
• PubChem CID: 53256678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.445526
• LogD (pH = 7.4): 2.4510717
• Log P: 2.4511428
• Molar Refractivity: 51.0016 cm^3
• Polarizability: 18.712624 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%