4-[1-(9H-fluoren-2-ylmethyl)azetidin-3-yl]pyridine

• ChemBase ID: 409420
• Molecular Formular: C22H20N2
• Molecular Mass: 312.4076
• Monoisotopic Mass: 312.16264865
• SMILES: N1(CC(C1)c1ccncc1)Cc1cc2c(c3c(C2)cccc3)cc1
• Canonical SMILES: n1ccc(cc1)C1CN(C1)Cc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C22H20N2/c1-2-4-21-18(3-1)12-19-11-16(5-6-22(19)21)13-24-14-20(15-24)17-7-9-23-10-8-17/h1-11,20H,12-15H2
• InChIKey: XNWUKVXVFKVGQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(9H-fluoren-2-ylmethyl)azetidin-3-yl]pyridine
• IUPAC Traditional name: 4-[1-(9H-fluoren-2-ylmethyl)azetidin-3-yl]pyridine
• Synonyms: 4-[1-(9H-fluoren-2-ylmethyl)-3-azetidinyl]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.70931
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1364137
• LogD (pH = 7.4): 2.9473274
• Log P: 3.964306
• Molar Refractivity: 98.667 cm^3
• Polarizability: 39.240818 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.72
• LOG S: -3.46
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3