6-(2-methoxyphenyl)pyridine-2-carbaldehyde

• ChemBase ID: 811474
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: n1c(cccc1c1c(cccc1)OC)C=O
• Canonical SMILES: COc1ccccc1c1cccc(n1)C=O
• InChI: InChI=1S/C13H11NO2/c1-16-13-8-3-2-6-11(13)12-7-4-5-10(9-15)14-12/h2-9H,1H3
• InChIKey: QAMYQTITWHKYIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(2-methoxyphenyl)pyridine-2-carbaldehyde
• Synonyms: 6-(2-METHOXYPHENYL)PYRIDINE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0178385
• LogD (pH = 7.4): 3.0180209
• Log P: 3.0180233
• Molar Refractivity: 61.3273 cm^3
• Polarizability: 24.826012 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%