4-(2,6-dichloropyridine-3-carbonyl)morpholine

• ChemBase ID: 796776
• Molecular Formular: C10H10Cl2N2O2
• Molecular Mass: 261.1046
• Monoisotopic Mass: 260.01193293
• SMILES: C(=O)(N1CCOCC1)c1c(nc(cc1)Cl)Cl
• Canonical SMILES: O=C(c1ccc(nc1Cl)Cl)N1CCOCC1
• InChI: InChI=1S/C10H10Cl2N2O2/c11-8-2-1-7(9(12)13-8)10(15)14-3-5-16-6-4-14/h1-2H,3-6H2
• InChIKey: PLAVALNMGZAHSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dichloropyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(2,6-dichloropyridine-3-carbonyl)morpholine
• Synonyms: (2,6-Dichloropyridin-3-yl)(Morpholino)Methanone

Database IDs

• CAS Number: 415700-14-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4835091
• LogD (pH = 7.4): 1.4835091
• Log P: 1.4835091
• Molar Refractivity: 63.5796 cm^3
• Polarizability: 23.632093 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%