5-(chloromethyl)-2-(oxan-4-yloxy)pyridine

• ChemBase ID: 77635
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: n1c(ccc(c1)CCl)OC1CCOCC1
• Canonical SMILES: ClCc1ccc(nc1)OC1CCOCC1
• InChI: InChI=1S/C11H14ClNO2/c12-7-9-1-2-11(13-8-9)15-10-3-5-14-6-4-10/h1-2,8,10H,3-7H2
• InChIKey: XPOHCIVJYJZKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-2-(oxan-4-yloxy)pyridine
• IUPAC Traditional name: 5-(chloromethyl)-2-(oxan-4-yloxy)pyridine
• Synonyms: 5-(chloromethyl)-2-(tetrahydropyran-4-yloxy)pyridine; 4-{[5-(Chloromethyl)pyridin-2-yl]oxy}tetrahydro-2H-pyran; 5-(Chloromethyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]pyridine 97%

Database IDs

• CAS Number: 906352-80-5
• MDL Number: MFCD09817495
• PubChem SID: 162042507
• PubChem CID: 24229581

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.740315
• LogD (pH = 7.4): 1.7407819
• Log P: 1.7407879
• Molar Refractivity: 59.0202 cm^3
• Polarizability: 22.967308 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42.5-45.5°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%