4-[2-(2,4-dichlorophenyl)pyridine-4-carbonyl]morpholine

• ChemBase ID: 512391
• Molecular Formular: C16H14Cl2N2O2
• Molecular Mass: 337.20056
• Monoisotopic Mass: 336.04323306
• SMILES: C(=O)(N1CCOCC1)c1cc(c2c(cc(cc2)Cl)Cl)ncc1
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1nccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C16H14Cl2N2O2/c17-12-1-2-13(14(18)10-12)15-9-11(3-4-19-15)16(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2
• InChIKey: HLYMUDBSNASVNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.076071
• LogD (pH = 7.4): 3.0762284
• Log P: 3.0762303
• Molar Refractivity: 86.2212 cm^3
• Polarizability: 34.302975 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: 1.6
• LOG S: -3.02
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2