2H-[1,3]dioxolo[4,5-c]pyridine-6-carbaldehyde

• ChemBase ID: 235819
• Molecular Formular: C7H5NO3
• Molecular Mass: 151.1195
• Monoisotopic Mass: 151.02694303
• SMILES: c12c(OCO2)cnc(c1)C=O
• Canonical SMILES: O=Cc1ncc2c(c1)OCO2
• InChI: InChI=1S/C7H5NO3/c9-3-5-1-6-7(2-8-5)11-4-10-6/h1-3H,4H2
• InChIKey: QSTBMCKJPCZQAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-[1,3]dioxolo[4,5-c]pyridine-6-carbaldehyde
• IUPAC Traditional name: 2H-[1,3]dioxolo[4,5-c]pyridine-6-carbaldehyde
• Synonyms: 2H-[1,3]dioxolo[4,5-c]pyridine-6-carbaldehyde

Database IDs

• MDL Number: MFCD18802358
• PubChem SID: 164291729
• PubChem CID: 57356967

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7453904
• LogD (pH = 7.4): 0.76558816
• Log P: 0.76585233
• Molar Refractivity: 35.8668 cm^3
• Polarizability: 13.874868 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.27

Product Information

• Purity: 95%