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

• ChemBase ID: 290721
• Molecular Formular: C9H11FN2
• Molecular Mass: 166.1954432
• Monoisotopic Mass: 166.09062658
• SMILES: Fc1cccnc1N1CCCC1
• Canonical SMILES: Fc1cccnc1N1CCCC1
• InChI: InChI=1S/C9H11FN2/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
• InChIKey: FLXRRBDRRRZNHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 3-fluoro-2-(pyrrolidin-1-yl)pyridine
• Synonyms: 3-Fluoro-2-(pyrrolidin-1-yl)pyridine

Database IDs

• CAS Number: 1133115-40-8
• PubChem SID: 180676252
• PubChem CID: 46739185

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9894407
• LogD (pH = 7.4): 2.0063539
• Log P: 2.0065742
• Molar Refractivity: 46.4006 cm^3
• Polarizability: 16.879599 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%