4-(2,6-dichloro-5-fluoropyridine-3-carbonyl)morpholine

• ChemBase ID: 96752
• Molecular Formular: C10H9Cl2FN2O2
• Molecular Mass: 279.0950632
• Monoisotopic Mass: 278.00251112
• SMILES: n1c(c(cc(c1Cl)F)C(=O)N1CCOCC1)Cl
• Canonical SMILES: O=C(c1cc(F)c(nc1Cl)Cl)N1CCOCC1
• InChI: InChI=1S/C10H9Cl2FN2O2/c11-8-6(5-7(13)9(12)14-8)10(16)15-1-3-17-4-2-15/h5H,1-4H2
• InChIKey: BLOYASGEDJPMSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dichloro-5-fluoropyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(2,6-dichloro-5-fluoropyridine-3-carbonyl)morpholine
• Synonyms: (2,6-Dichloro-5-fluoropyridin-3-yl)(morpholino)methanone; 4-[(2,6-Dichloro-5-fluoropyridin-3-yl)carbonyl]morpholine

Database IDs

• MDL Number: MFCD01765490
• PubChem SID: 162083401
• PubChem CID: 2782036

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6262109
• LogD (pH = 7.4): 1.626211
• Log P: 1.626211
• Molar Refractivity: 63.796 cm^3
• Polarizability: 23.474285 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132-133°C

Safety Information

• Storage Warning: Harmful