2-(chloromethyl)-6-ethoxypyridine

• ChemBase ID: 235701
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: n1c(OCC)cccc1CCl
• Canonical SMILES: CCOc1cccc(n1)CCl
• InChI: InChI=1S/C8H10ClNO/c1-2-11-8-5-3-4-7(6-9)10-8/h3-5H,2,6H2,1H3
• InChIKey: YJTGYQUOPUSLFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-6-ethoxypyridine
• IUPAC Traditional name: 2-(chloromethyl)-6-ethoxypyridine
• Synonyms: 2-(chloromethyl)-6-ethoxypyridine

Database IDs

• MDL Number: MFCD16697941
• PubChem SID: 164291611
• PubChem CID: 62239186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2177637
• LogD (pH = 7.4): 2.21788
• Log P: 2.2178817
• Molar Refractivity: 44.7711 cm^3
• Polarizability: 17.462708 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.556

Product Information

• Purity: 95%