6-ethoxypyridine-2-carbaldehyde

• ChemBase ID: 239066
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: n1c(OCC)cccc1C=O
• Canonical SMILES: CCOc1cccc(n1)C=O
• InChI: InChI=1S/C8H9NO2/c1-2-11-8-5-3-4-7(6-10)9-8/h3-6H,2H2,1H3
• InChIKey: WRWZDKXPVBFYLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxypyridine-2-carbaldehyde
• IUPAC Traditional name: 6-ethoxypyridine-2-carbaldehyde
• Synonyms: 6-ethoxypyridine-2-carbaldehyde

Database IDs

• MDL Number: MFCD11044341
• PubChem SID: 164294976
• PubChem CID: 45083730

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.936181
• LogD (pH = 7.4): 1.9362127
• Log P: 1.936213
• Molar Refractivity: 41.6252 cm^3
• Polarizability: 15.701399 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 1.877

Product Information

• Purity: 95%