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

• ChemBase ID: 290631
• Molecular Formular: C9H11FN2
• Molecular Mass: 166.1954432
• Monoisotopic Mass: 166.09062658
• SMILES: Fc1cnc(N2CCCC2)cc1
• Canonical SMILES: Fc1ccc(nc1)N1CCCC1
• InChI: InChI=1S/C9H11FN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
• InChIKey: IBWUHBJFPTXYGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1287217-79-1
• PubChem SID: 180676162
• PubChem CID: 53256679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0009575
• LogD (pH = 7.4): 2.006503
• Log P: 2.0065742
• Molar Refractivity: 46.4006 cm^3
• Polarizability: 16.878855 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%