8-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde

• ChemBase ID: 243443
• Molecular Formular: C8H5FN2O
• Molecular Mass: 164.1365032
• Monoisotopic Mass: 164.03859101
• SMILES: c12n(cc(n1)C=O)cccc2F
• Canonical SMILES: O=Cc1cn2c(n1)c(F)ccc2
• InChI: InChI=1S/C8H5FN2O/c9-7-2-1-3-11-4-6(5-12)10-8(7)11/h1-5H
• InChIKey: MIBHEUGZMMVPGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
• IUPAC Traditional name: 8-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
• Synonyms: 8-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde

Database IDs

• MDL Number: MFCD09994902
• PubChem SID: 164299353
• PubChem CID: 55266776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2869344
• LogD (pH = 7.4): 1.289267
• Log P: 1.2892969
• Molar Refractivity: 42.3516 cm^3
• Polarizability: 14.931226 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 1.438

Product Information

• Purity: 95%