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

• ChemBase ID: 811562
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: n1cc(cc(c1)c1occc1)C=O
• Canonical SMILES: O=Cc1cncc(c1)c1ccco1
• InChI: InChI=1S/C10H7NO2/c12-7-8-4-9(6-11-5-8)10-2-1-3-13-10/h1-7H
• InChIKey: NHNONBSKOMTGFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-yl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 5-(furan-2-yl)pyridine-3-carbaldehyde
• Synonyms: 5-(FURAN-2-YL)PYRIDINE-3-CARBALDEHYDE

Database IDs

• CAS Number: 887973-61-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1744319
• LogD (pH = 7.4): 1.1755337
• Log P: 1.1755477
• Molar Refractivity: 48.0122 cm^3
• Polarizability: 19.146856 Å^3
• Polar Surface Area: 43.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%