4-(1-{furo[3,2-c]pyridin-4-yl}azetidin-3-yl)pyridine

• ChemBase ID: 630583
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: N1(c2c3c(occ3)ccn2)CC(C1)c1ccncc1
• Canonical SMILES: n1ccc(cc1)C1CN(C1)c1nccc2c1cco2
• InChI: InChI=1S/C15H13N3O/c1-5-16-6-2-11(1)12-9-18(10-12)15-13-4-8-19-14(13)3-7-17-15/h1-8,12H,9-10H2
• InChIKey: SZLAUPAMAUXQOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{furo[3,2-c]pyridin-4-yl}azetidin-3-yl)pyridine
• IUPAC Traditional name: 4-(1-{furo[3,2-c]pyridin-4-yl}azetidin-3-yl)pyridine
• Synonyms: 4-[3-(4-pyridinyl)-1-azetidinyl]furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4754305
• LogD (pH = 7.4): 1.8938663
• Log P: 1.9010881
• Molar Refractivity: 72.7352 cm^3
• Polarizability: 28.370012 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.44
• LOG S: -0.96
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 2