2-(2-ethoxyethyl)pyridine

• ChemBase ID: 79720
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: n1c(cccc1)CCOCC
• Canonical SMILES: CCOCCc1ccccn1
• InChI: InChI=1S/C9H13NO/c1-2-11-8-6-9-5-3-4-7-10-9/h3-5,7H,2,6,8H2,1H3
• InChIKey: BVFWKBCHXXZOJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxyethyl)pyridine
• IUPAC Traditional name: 2-(2-ethoxyethyl)pyridine
• Synonyms: 2-(2-ethoxyethyl)pyridine

Database IDs

• CAS Number: 28672-54-0
• MDL Number: MFCD00023548
• PubChem SID: 162044483
• PubChem CID: 98758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.11634
• LogD (pH = 7.4): 1.3035859
• Log P: 1.3066427
• Molar Refractivity: 44.394 cm^3
• Polarizability: 17.410112 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true