4-(5,6-dichloropyridine-3-carbonyl)morpholine

• ChemBase ID: 263586
• Molecular Formular: C10H10Cl2N2O2
• Molecular Mass: 261.1046
• Monoisotopic Mass: 260.01193293
• SMILES: c1(C(=O)N2CCOCC2)cc(c(nc1)Cl)Cl
• Canonical SMILES: O=C(c1cnc(c(c1)Cl)Cl)N1CCOCC1
• InChI: InChI=1S/C10H10Cl2N2O2/c11-8-5-7(6-13-9(8)12)10(15)14-1-3-16-4-2-14/h5-6H,1-4H2
• InChIKey: CWLKAWOIVKGBIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5,6-dichloropyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(5,6-dichloropyridine-3-carbonyl)morpholine
• Synonyms: 4-[(5,6-dichloropyridin-3-yl)carbonyl]morpholine

Database IDs

• MDL Number: MFCD09813390
• PubChem SID: 164319496
• PubChem CID: 18070187

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2633318
• LogD (pH = 7.4): 1.2633319
• Log P: 1.2633319
• Molar Refractivity: 62.5183 cm^3
• Polarizability: 23.59834 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 1.027

Product Information

• Purity: 95%