2-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyridin-3-ol

• ChemBase ID: 498087
• Molecular Formular: C15H13FN2O3
• Molecular Mass: 288.2737232
• Monoisotopic Mass: 288.09102051
• SMILES: N1(C(=O)c2ncccc2O)CC(C1)Oc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1OC1CN(C1)C(=O)c1ncccc1O
• InChI: InChI=1S/C15H13FN2O3/c16-11-4-1-2-6-13(11)21-10-8-18(9-10)15(20)14-12(19)5-3-7-17-14/h1-7,10,19H,8-9H2
• InChIKey: RHFGVHVZGZWVFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyridin-3-ol
• IUPAC Traditional name: 2-[3-(2-fluorophenoxy)azetidine-1-carbonyl]pyridin-3-ol
• Synonyms: 2-{[3-(2-fluorophenoxy)azetidin-1-yl]carbonyl}pyridin-3-ol

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -2.58

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 7.5188985
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4567518
• LogD (pH = 7.4): 2.2224848
• Log P: 2.4608445
• Molar Refractivity: 72.8516 cm^3
• Polarizability: 27.684122 Å^3
• Polar Surface Area: 62.66 Å^2