furo[3,2-b]pyridine-6-carbaldehyde

• ChemBase ID: 33031
• Molecular Formular: C8H5NO2
• Molecular Mass: 147.1308
• Monoisotopic Mass: 147.03202841
• SMILES: c1(cnc2c(c1)occ2)C=O
• Canonical SMILES: O=Cc1cnc2c(c1)occ2
• InChI: InChI=1S/C8H5NO2/c10-5-6-3-8-7(9-4-6)1-2-11-8/h1-5H
• InChIKey: ZJLFAZIRJZCPPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-b]pyridine-6-carbaldehyde
• IUPAC Traditional name: furo[3,2-b]pyridine-6-carbaldehyde
• Synonyms: Furo[3,2-b]pyridine-6-carbaldehyde; Furo[3,2-b]pyridine-6-carbaldehyde

Database IDs

• CAS Number: 227939-48-2
• MDL Number: MFCD11857749
• PubChem SID: 160996338
• PubChem CID: 45079686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0128822
• LogD (pH = 7.4): 1.0130473
• Log P: 1.0130495
• Molar Refractivity: 38.9542 cm^3
• Polarizability: 15.712167 Å^3
• Polar Surface Area: 43.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H5NO2

DETAILS

Sigma Aldrich - ADE001143

Other Notes
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