6-ethylpyridine-2-carbaldehyde

• ChemBase ID: 292860
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: O=Cc1nc(CC)ccc1
• Canonical SMILES: CCc1cccc(n1)C=O
• InChI: InChI=1S/C8H9NO/c1-2-7-4-3-5-8(6-10)9-7/h3-6H,2H2,1H3
• InChIKey: ZTWDMEWZCFVRQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylpyridine-2-carbaldehyde
• IUPAC Traditional name: 6-ethylpyridine-2-carbaldehyde
• Synonyms: 6-Ethylpicolinaldehyde

Database IDs

• CAS Number: 153646-82-3
• PubChem SID: 180678391
• PubChem CID: 10534706

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9589204
• LogD (pH = 7.4): 1.9743248
• Log P: 1.9745249
• Molar Refractivity: 39.3183 cm^3
• Polarizability: 14.93312 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%