5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde

• ChemBase ID: 263917
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: c1(c(OCc2ncccc2)ccc(c1)OC)C=O
• Canonical SMILES: O=Cc1cc(OC)ccc1OCc1ccccn1
• InChI: InChI=1S/C14H13NO3/c1-17-13-5-6-14(11(8-13)9-16)18-10-12-4-2-3-7-15-12/h2-9H,10H2,1H3
• InChIKey: PZJIEYBOHZIPIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde
• IUPAC Traditional name: 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde
• Synonyms: 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD08442767
• PubChem SID: 164319827
• PubChem CID: 16769564

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9508039
• LogD (pH = 7.4): 1.9585781
• Log P: 1.9586782
• Molar Refractivity: 67.5019 cm^3
• Polarizability: 25.950024 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.071

Product Information

• Purity: 95%