6-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]pyridin-3-ol

• ChemBase ID: 623245
• Molecular Formular: C16H14Cl2N2O3
• Molecular Mass: 353.19996
• Monoisotopic Mass: 352.03814768
• SMILES: N1(C(=O)c2ncc(cc2)O)CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: Oc1ccc(nc1)C(=O)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C16H14Cl2N2O3/c17-12-3-1-10(7-13(12)18)15-9-20(5-6-23-15)16(22)14-4-2-11(21)8-19-14/h1-4,7-8,15,21H,5-6,9H2
• InChIKey: LOMPLTSMZHXPSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]pyridin-3-ol
• IUPAC Traditional name: 6-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]pyridin-3-ol
• Synonyms: 6-{[2-(3,4-dichlorophenyl)morpholin-4-yl]carbonyl}pyridin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.819346
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.907631
• LogD (pH = 7.4): 2.772831
• Log P: 2.90968
• Molar Refractivity: 87.3487 cm^3
• Polarizability: 33.657112 Å^3
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.42
• LOG S: -3.84
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 2