2-fluoro-6-(pyrrolidin-1-yl)pyridine

• ChemBase ID: 240378
• Molecular Formular: C9H11FN2
• Molecular Mass: 166.1954432
• Monoisotopic Mass: 166.09062658
• SMILES: n1c(N2CCCC2)cccc1F
• Canonical SMILES: Fc1cccc(n1)N1CCCC1
• InChI: InChI=1S/C9H11FN2/c10-8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
• InChIKey: DITJTHCVPDLQAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(pyrrolidin-1-yl)pyridine
• Synonyms: 2-fluoro-6-(pyrrolidin-1-yl)pyridine

Database IDs

• MDL Number: MFCD10699460
• PubChem SID: 164296288
• PubChem CID: 46783332

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4005008
• LogD (pH = 7.4): 2.4005048
• Log P: 2.4005048
• Molar Refractivity: 47.4153 cm^3
• Polarizability: 16.87815 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.701

Product Information

• Purity: 95%