6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 66878
• Molecular Formular: C8H5ClN2O
• Molecular Mass: 180.5911
• Monoisotopic Mass: 180.00904047
• SMILES: c12ccc(cn1c(cn2)C=O)Cl
• Canonical SMILES: O=Cc1cnc2n1cc(Cl)cc2
• InChI: InChI=1S/C8H5ClN2O/c9-6-1-2-8-10-3-7(5-12)11(8)4-6/h1-5H
• InChIKey: FSRZPMAKLOSLMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 6-Chloroimidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• CAS Number: 29096-59-1
• MDL Number: MFCD09909649
• PubChem SID: 162032614
• PubChem CID: 18766057

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8868842
• LogD (pH = 7.4): 0.9944956
• Log P: 0.99609756
• Molar Refractivity: 47.2027 cm^3
• Polarizability: 17.107132 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.008

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%