4-[3-(2-chlorophenoxy)azetidin-1-yl]pyridine

• ChemBase ID: 576891
• Molecular Formular: C14H13ClN2O
• Molecular Mass: 260.71882
• Monoisotopic Mass: 260.07164073
• SMILES: N1(CC(C1)Oc1c(Cl)cccc1)c1ccncc1
• Canonical SMILES: Clc1ccccc1OC1CN(C1)c1ccncc1
• InChI: InChI=1S/C14H13ClN2O/c15-13-3-1-2-4-14(13)18-12-9-17(10-12)11-5-7-16-8-6-11/h1-8,12H,9-10H2
• InChIKey: QGLHZYKNMHBFSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-chlorophenoxy)azetidin-1-yl]pyridine
• IUPAC Traditional name: 4-[3-(2-chlorophenoxy)azetidin-1-yl]pyridine
• Synonyms: 4-[3-(2-chlorophenoxy)-1-azetidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0171597
• LogD (pH = 7.4): 2.1722634
• Log P: 2.9999537
• Molar Refractivity: 71.3879 cm^3
• Polarizability: 27.51531 Å^3
• Polar Surface Area: 25.36 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: 2.6
• LOG S: -3.32
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3