4-[(6-chloro-2-methylpyridin-3-yl)methyl]morpholine

• ChemBase ID: 78140
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: O1CCN(CC1)Cc1c(nc(cc1)Cl)C
• Canonical SMILES: Cc1nc(Cl)ccc1CN1CCOCC1
• InChI: InChI=1S/C11H15ClN2O/c1-9-10(2-3-11(12)13-9)8-14-4-6-15-7-5-14/h2-3H,4-8H2,1H3
• InChIKey: ZEZDQNCIVVYTRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-chloro-2-methylpyridin-3-yl)methyl]morpholine
• IUPAC Traditional name: 4-[(6-chloro-2-methylpyridin-3-yl)methyl]morpholine
• Synonyms: 6-Chloro-2-methyl-3-[(morpholin-4-yl)methyl]pyridine; 4-[(6-Chloro-2-methylpyridin-3-yl)methyl]morpholine

Database IDs

• PubChem SID: 162104447
• PubChem CID: 51341953

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0277507
• LogD (pH = 7.4): 1.425672
• Log P: 1.4340618
• Molar Refractivity: 61.9759 cm^3
• Polarizability: 23.82317 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant