3-(pyridin-2-yloxy)benzaldehyde

• ChemBase ID: 76333
• Molecular Formular: C12H9NO2
• Molecular Mass: 199.20536
• Monoisotopic Mass: 199.06332853
• SMILES: n1ccccc1Oc1cc(ccc1)C=O
• Canonical SMILES: O=Cc1cccc(c1)Oc1ccccn1
• InChI: InChI=1S/C12H9NO2/c14-9-10-4-3-5-11(8-10)15-12-6-1-2-7-13-12/h1-9H
• InChIKey: YGXYNKLOBXMTGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 137386-78-8
• MDL Number: MFCD03840110
• PubChem SID: 162041239
• PubChem CID: 2735363

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5627027
• LogD (pH = 7.4): 2.562819
• Log P: 2.5628204
• Molar Refractivity: 57.0394 cm^3
• Polarizability: 21.651506 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 97%