2-(chloromethyl)-5-ethoxypyridine

• ChemBase ID: 276330
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: n1c(ccc(c1)OCC)CCl
• Canonical SMILES: CCOc1ccc(nc1)CCl
• InChI: InChI=1S/C8H10ClNO/c1-2-11-8-4-3-7(5-9)10-6-8/h3-4,6H,2,5H2,1H3
• InChIKey: OAEDWUPZIBOQMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5-ethoxypyridine
• IUPAC Traditional name: 2-(chloromethyl)-5-ethoxypyridine
• Synonyms: 2-(chloromethyl)-5-ethoxypyridine

Database IDs

• MDL Number: MFCD19382143
• PubChem SID: 164332240
• PubChem CID: 14751740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6150951
• LogD (pH = 7.4): 1.6233181
• Log P: 1.623424
• Molar Refractivity: 44.4576 cm^3
• Polarizability: 17.459877 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.156

Product Information

• Purity: 95%