2-(3,5-difluorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

• ChemBase ID: 679912
• Molecular Formular: C14H9F2N3O
• Molecular Mass: 273.2375664
• Monoisotopic Mass: 273.07136836
• SMILES: n1c(onc1C)c1cc(c2cc(cc(c2)F)F)ncc1
• Canonical SMILES: Fc1cc(F)cc(c1)c1nccc(c1)c1onc(n1)C
• InChI: InChI=1S/C14H9F2N3O/c1-8-18-14(20-19-8)9-2-3-17-13(6-9)10-4-11(15)7-12(16)5-10/h2-7H,1H3
• InChIKey: LBDAJUNAPYODEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-difluorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• IUPAC Traditional name: 2-(3,5-difluorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
• Synonyms: 2-(3,5-difluorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4611812
• LogD (pH = 7.4): 3.4612205
• Log P: 3.461221
• Molar Refractivity: 79.4402 cm^3
• Polarizability: 26.870344 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.69
• LOG S: -3.49
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 2