4-ethoxypyridine-2-carbaldehyde

• ChemBase ID: 293214
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: O=Cc1nccc(OCC)c1
• Canonical SMILES: CCOc1ccnc(c1)C=O
• InChI: InChI=1S/C8H9NO2/c1-2-11-8-3-4-9-7(5-8)6-10/h3-6H,2H2,1H3
• InChIKey: FMFBEEIRFLOPAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxypyridine-2-carbaldehyde
• IUPAC Traditional name: 4-ethoxypyridine-2-carbaldehyde
• Synonyms: 4-Ethoxypicolinaldehyde

Database IDs

• CAS Number: 16665-43-3
• PubChem SID: 180678745
• PubChem CID: 71607223

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2430525
• LogD (pH = 7.4): 1.3403497
• Log P: 1.3417555
• Molar Refractivity: 41.3117 cm^3
• Polarizability: 15.695396 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%