2-(2-methoxyethyl)pyridine

• ChemBase ID: 108224
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: COCCc1ccccn1
• Canonical SMILES: COCCc1ccccn1
• InChI: InChI=1S/C8H11NO/c1-10-7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3
• InChIKey: QRBVCAWHUSTDOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)pyridine
• IUPAC Traditional name: pyridine, 2-(2-methoxyethyl)-
• Synonyms: 2-β-(METHOXYETHYL)PYRIDINE

Database IDs

• CAS Number: 114-91-0
• EC Number: 204-060-0
• PubChem SID: 162093918
• PubChem CID: 66991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.75946945
• LogD (pH = 7.4): 0.9467766
• Log P: 0.94983476
• Molar Refractivity: 39.6454 cm^3
• Polarizability: 15.566518 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206535

MP Biomedicals Rare Chemical collection