4-[3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine

• ChemBase ID: 545809
• Molecular Formular: C15H15FN2
• Molecular Mass: 242.2914032
• Monoisotopic Mass: 242.12192671
• SMILES: N1(CC(c2c(F)cccc2)CC1)c1ccncc1
• Canonical SMILES: Fc1ccccc1C1CCN(C1)c1ccncc1
• InChI: InChI=1S/C15H15FN2/c16-15-4-2-1-3-14(15)12-7-10-18(11-12)13-5-8-17-9-6-13/h1-6,8-9,12H,7,10-11H2
• InChIKey: YZIFPWHVGKYGLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine
• IUPAC Traditional name: 4-[3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine
• Synonyms: 4-[3-(2-fluorophenyl)-1-pyrrolidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9278699
• LogD (pH = 7.4): 2.0714805
• Log P: 2.9108934
• Molar Refractivity: 70.6537 cm^3
• Polarizability: 26.366985 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 2.99
• LOG S: -3.52
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2