3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carbaldehyde

• ChemBase ID: 256232
• Molecular Formular: C12H8N2O2
• Molecular Mass: 212.20412
• Monoisotopic Mass: 212.05857751
• SMILES: c1(nc(c2n1cccc2)C=O)c1occc1
• Canonical SMILES: O=Cc1nc(n2c1cccc2)c1ccco1
• InChI: InChI=1S/C12H8N2O2/c15-8-9-10-4-1-2-6-14(10)12(13-9)11-5-3-7-16-11/h1-8H
• InChIKey: GFKHSYRTJSAEOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carbaldehyde
• IUPAC Traditional name: 3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carbaldehyde
• Synonyms: 3-(2-furyl)imidazo[1,5-a]pyridine-1-carbaldehyde

Database IDs

• MDL Number: MFCD05843607
• PubChem SID: 164312142
• PubChem CID: 1383644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.861658
• LogD (pH = 7.4): 1.8831861
• Log P: 1.883468
• Molar Refractivity: 70.028 cm^3
• Polarizability: 23.0043 Å^3
• Polar Surface Area: 47.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.574

Product Information

• Purity: 95%