6-(3-fluoro-4-methoxyphenyl)-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 552485
• Molecular Formular: C15H14FN3O
• Molecular Mass: 271.2895632
• Monoisotopic Mass: 271.1120903
• SMILES: n12c(nc(n1)C)c(cc(c2)c1cc(c(cc1)OC)F)C
• Canonical SMILES: COc1ccc(cc1F)c1cc(C)c2n(c1)nc(n2)C
• InChI: InChI=1S/C15H14FN3O/c1-9-6-12(8-19-15(9)17-10(2)18-19)11-4-5-14(20-3)13(16)7-11/h4-8H,1-3H3
• InChIKey: OLOWUSWYQCNKRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-fluoro-4-methoxyphenyl)-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 6-(3-fluoro-4-methoxyphenyl)-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 6-(3-fluoro-4-methoxyphenyl)-2,8-dimethyl[1,2,4]triazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8999627
• LogD (pH = 7.4): 3.901423
• Log P: 3.9014416
• Molar Refractivity: 86.2331 cm^3
• Polarizability: 29.028234 Å^3
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 2

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.94
• LOG S: -3.69
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 2