2-(pyridin-2-yloxy)benzaldehyde

• ChemBase ID: 101314
• Molecular Formular: C12H9NO2
• Molecular Mass: 199.20536
• Monoisotopic Mass: 199.06332853
• SMILES: c1(Oc2ncccc2)c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1Oc1ccccn1
• InChI: InChI=1S/C12H9NO2/c14-9-10-5-1-2-6-11(10)15-12-7-3-4-8-13-12/h1-9H
• InChIKey: QCKZHTQRJYCZTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 141580-71-4
• MDL Number: MFCD09025852
• PubChem SID: 162087947
• PubChem CID: 19068727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5627093
• LogD (pH = 7.4): 2.562819
• Log P: 2.5628204
• Molar Refractivity: 57.0394 cm^3
• Polarizability: 21.653563 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%