4-[6-(chloromethyl)pyridin-2-yl]morpholine

• ChemBase ID: 802148
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: C1COCCN1c1nc(ccc1)CCl
• Canonical SMILES: ClCc1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C10H13ClN2O/c11-8-9-2-1-3-10(12-9)13-4-6-14-7-5-13/h1-3H,4-8H2
• InChIKey: VRKYPIKWYDXMAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(chloromethyl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 4-[6-(chloromethyl)pyridin-2-yl]morpholine
• Synonyms: 4-[6-(CHLOROMETHYL)PYRIDIN-2-YL]MORPHOLINE

Database IDs

• CAS Number: 405103-66-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6426148
• LogD (pH = 7.4): 1.9036572
• Log P: 1.9082884
• Molar Refractivity: 57.0624 cm^3
• Polarizability: 21.578337 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%