2-(3-fluoropyridin-4-yl)-8-methoxyquinoline

• ChemBase ID: 572003
• Molecular Formular: C15H11FN2O
• Molecular Mass: 254.2590432
• Monoisotopic Mass: 254.0855412
• SMILES: n1c(c2c(F)cncc2)ccc2c1c(OC)ccc2
• Canonical SMILES: COc1cccc2c1nc(cc2)c1ccncc1F
• InChI: InChI=1S/C15H11FN2O/c1-19-14-4-2-3-10-5-6-13(18-15(10)14)11-7-8-17-9-12(11)16/h2-9H,1H3
• InChIKey: NZWFJWIYPKGEHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoropyridin-4-yl)-8-methoxyquinoline
• IUPAC Traditional name: 2-(3-fluoropyridin-4-yl)-8-methoxyquinoline
• Synonyms: 2-(3-fluoropyridin-4-yl)-8-methoxyquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.930946
• LogD (pH = 7.4): 2.9313295
• Log P: 2.9313345
• Molar Refractivity: 69.2662 cm^3
• Polarizability: 29.198032 Å^3
• Polar Surface Area: 35.01 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: 2.77
• LOG S: -3.42
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2