5-ethylpyridine-2-carbaldehyde

• ChemBase ID: 307650
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: n1c(C=O)ccc(c1)CC
• Canonical SMILES: CCc1ccc(nc1)C=O
• InChI: InChI=1S/C8H9NO/c1-2-7-3-4-8(6-10)9-5-7/h3-6H,2H2,1H3
• InChIKey: PPUYLXOFOVDYKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylpyridine-2-carbaldehyde
• IUPAC Traditional name: 5-ethylpyridine-2-carbaldehyde
• Synonyms: 5-ethylpyridine-2-carbaldehyde

Database IDs

• CAS Number: 21913-84-8
• MDL Number: MFCD09864377

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0901313
• LogD (pH = 7.4): 2.1004753
• Log P: 2.1006088
• Molar Refractivity: 39.7421 cm^3
• Polarizability: 14.932633 Å^3
• Polar Surface Area: 29.96 Å^2