6-(furan-2-yl)pyridine-3-carbaldehyde

• ChemBase ID: 101360
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: n1c(c2occc2)ccc(c1)C=O
• Canonical SMILES: O=Cc1ccc(nc1)c1ccco1
• InChI: InChI=1S/C10H7NO2/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-7H
• InChIKey: RHHAYCIYWCFECO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(furan-2-yl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(furan-2-yl)pyridine-3-carbaldehyde
• Synonyms: 6-(2-furyl)nicotinaldehyde

Database IDs

• CAS Number: 886851-42-9
• MDL Number: MFCD04115423
• PubChem SID: 162087556
• PubChem CID: 24729675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5613713
• LogD (pH = 7.4): 1.5613977
• Log P: 1.561398
• Molar Refractivity: 47.6402 cm^3
• Polarizability: 19.15191 Å^3
• Polar Surface Area: 43.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%