furo[2,3-c]pyridine-2-carbaldehyde

• ChemBase ID: 65877
• Molecular Formular: C8H5NO2
• Molecular Mass: 147.1308
• Monoisotopic Mass: 147.03202841
• SMILES: c1ncc2c(c1)cc(o2)C=O
• Canonical SMILES: O=Cc1cc2c(o1)cncc2
• InChI: InChI=1S/C8H5NO2/c10-5-7-3-6-1-2-9-4-8(6)11-7/h1-5H
• InChIKey: KKUIVASBGOEYGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 112372-06-2
• MDL Number: MFCD15143904
• PubChem SID: 162031616
• PubChem CID: 642129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5385437
• LogD (pH = 7.4): 0.54708993
• Log P: 0.54720026
• Molar Refractivity: 39.2037 cm^3
• Polarizability: 15.71318 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

• Purity: 97%