2-(pyridin-3-yloxy)benzaldehyde

• ChemBase ID: 76332
• Molecular Formular: C12H9NO2
• Molecular Mass: 199.20536
• Monoisotopic Mass: 199.06332853
• SMILES: O(c1c(cccc1)C=O)c1cccnc1
• Canonical SMILES: O=Cc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C12H9NO2/c14-9-10-4-1-2-6-12(10)15-11-5-3-7-13-8-11/h1-9H
• InChIKey: BYCSAVFUTDKCFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yloxy)benzaldehyde
• IUPAC Traditional name: 2-(pyridin-3-yloxy)benzaldehyde
• Synonyms: 2-(pyridin-3-yloxy)benzaldehyde

Database IDs

• MDL Number: MFCD03840027
• PubChem SID: 162041238
• PubChem CID: 3372155

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9215014
• LogD (pH = 7.4): 1.9677322
• Log P: 1.9683629
• Molar Refractivity: 56.7259 cm^3
• Polarizability: 21.65089 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true