4-[2-(2,3-difluorophenyl)pyridine-4-carbonyl]morpholine

• ChemBase ID: 528969
• Molecular Formular: C16H14F2N2O2
• Molecular Mass: 304.2913664
• Monoisotopic Mass: 304.10233414
• SMILES: C(=O)(N1CCOCC1)c1cc(c2c(c(F)ccc2)F)ncc1
• Canonical SMILES: O=C(c1ccnc(c1)c1cccc(c1F)F)N1CCOCC1
• InChI: InChI=1S/C16H14F2N2O2/c17-13-3-1-2-12(15(13)18)14-10-11(4-5-19-14)16(21)20-6-8-22-9-7-20/h1-5,10H,6-9H2
• InChIKey: WTQFSTRCCGDJHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,3-difluorophenyl)pyridine-4-carbonyl]morpholine
• IUPAC Traditional name: 4-[2-(2,3-difluorophenyl)pyridine-4-carbonyl]morpholine
• Synonyms: 4-[2-(2,3-difluorophenyl)isonicotinoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.153483
• LogD (pH = 7.4): 2.1535442
• Log P: 2.153545
• Molar Refractivity: 77.0444 cm^3
• Polarizability: 29.902912 Å^3
• Polar Surface Area: 42.43 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: 0.97
• LOG S: -2.25
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2