ethyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-3-carboxylate

• ChemBase ID: 360037
• Molecular Formular: C18H19FN2O3
• Molecular Mass: 330.3534632
• Monoisotopic Mass: 330.1379707
• SMILES: c1(N2CC(c3ccc(cc3)F)OCC2)c(C(=O)OCC)cccn1
• Canonical SMILES: CCOC(=O)c1cccnc1N1CCOC(C1)c1ccc(cc1)F
• InChI: InChI=1S/C18H19FN2O3/c1-2-23-18(22)15-4-3-9-20-17(15)21-10-11-24-16(12-21)13-5-7-14(19)8-6-13/h3-9,16H,2,10-12H2,1H3
• InChIKey: GDYMZDIYWHGEQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-3-carboxylate
• Synonyms: ethyl 2-[2-(4-fluorophenyl)morpholin-4-yl]nicotinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.459942
• LogD (pH = 7.4): 3.5258873
• Log P: 3.5268013
• Molar Refractivity: 88.9908 cm^3
• Polarizability: 33.44531 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.97
• LOG S: -4.14
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5