4-(pyridin-2-yloxy)benzaldehyde hydrochloride

• ChemBase ID: 76334
• Molecular Formular: C12H10ClNO2
• Molecular Mass: 235.6663
• Monoisotopic Mass: 235.04000625
• SMILES: n1ccccc1Oc1ccc(cc1)C=O.Cl
• Canonical SMILES: O=Cc1ccc(cc1)Oc1ccccn1.Cl
• InChI: InChI=1S/C12H9NO2.ClH/c14-9-10-4-6-11(7-5-10)15-12-3-1-2-8-13-12;/h1-9H;1H
• InChIKey: LMSVMCIFFNAZRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yloxy)benzaldehyde hydrochloride
• IUPAC Traditional name: 4-(pyridin-2-yloxy)benzaldehyde hydrochloride
• Synonyms: 4-(pyridin-2-yloxy)benzaldehyde hydrochloride

Database IDs

• MDL Number: MFCD03840160
• PubChem SID: 162041240
• PubChem CID: 17749839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5627031
• LogD (pH = 7.4): 2.562819
• Log P: 2.5628204
• Molar Refractivity: 57.0394 cm^3
• Polarizability: 21.650984 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true