6-(4-ethenylphenyl)pyridine-3-carbaldehyde

• ChemBase ID: 812148
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: n1cc(ccc1c1ccc(cc1)C=C)C=O
• Canonical SMILES: C=Cc1ccc(cc1)c1ccc(cn1)C=O
• InChI: InChI=1S/C14H11NO/c1-2-11-3-6-13(7-4-11)14-8-5-12(10-16)9-15-14/h2-10H,1H2
• InChIKey: WXXVBTBOLKRKLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-ethenylphenyl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(4-ethenylphenyl)pyridine-3-carbaldehyde
• Synonyms: 6-(4-VINYL-PHENYL)-PYRIDINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2353294
• LogD (pH = 7.4): 3.2378216
• Log P: 3.2378535
• Molar Refractivity: 64.9356 cm^3
• Polarizability: 25.886408 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%