5-(furan-2-yl)pyridine-2-carbaldehyde

• ChemBase ID: 101365
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: c1(c2cnc(C=O)cc2)occc1
• Canonical SMILES: O=Cc1ccc(cn1)c1ccco1
• InChI: InChI=1S/C10H7NO2/c12-7-9-4-3-8(6-11-9)10-2-1-5-13-10/h1-7H
• InChIKey: GUIKMKZMLLANPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-yl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 5-(furan-2-yl)pyridine-2-carbaldehyde
• Synonyms: 5-(2-furyl)pyridine-2-carbaldehyde

Database IDs

• CAS Number: 886851-45-2
• MDL Number: MFCD10700053
• PubChem SID: 162087161
• PubChem CID: 42555941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8496127
• LogD (pH = 7.4): 1.8500848
• Log P: 1.8500909
• Molar Refractivity: 47.627 cm^3
• Polarizability: 19.151808 Å^3
• Polar Surface Area: 43.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%