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

• ChemBase ID: 50724
• Molecular Formular: C8H5FN2O
• Molecular Mass: 164.1365032
• Monoisotopic Mass: 164.03859101
• SMILES: n12c(nc(c2)C=O)cccc1F
• Canonical SMILES: O=Cc1cn2c(n1)cccc2F
• InChI: InChI=1S/C8H5FN2O/c9-7-2-1-3-8-10-6(5-12)4-11(7)8/h1-5H
• InChIKey: ANTIOTRWBFOORM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
• IUPAC Traditional name: 5-fluoroimidazo[1,2-a]pyridine-2-carbaldehyde
• Synonyms: 5-Fluoroimidazo[1,2-a]pyridine-2-carbaldehyde

Database IDs

• CAS Number: 878197-67-2
• MDL Number: MFCD11656369
• PubChem SID: 162055487
• PubChem CID: 50853271

CALCULATED PROPERTIES

• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1345643
• LogD (pH = 7.4): 1.1774836
• Log P: 1.178061
• Molar Refractivity: 42.3061 cm^3
• Polarizability: 14.931622 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%