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

• ChemBase ID: 263569
• Molecular Formular: C8H5ClN2O
• Molecular Mass: 180.5911
• Monoisotopic Mass: 180.00904047
• SMILES: n12c(nc(c1)C=O)ccc(c2)Cl
• Canonical SMILES: O=Cc1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C8H5ClN2O/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-5H
• InChIKey: QBBLRFRGPGOOIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06739239
• PubChem SID: 164319479
• PubChem CID: 17842529

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6820264
• LogD (pH = 7.4): 1.7497001
• Log P: 1.7506396
• Molar Refractivity: 46.94 cm^3
• Polarizability: 17.10857 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 2.008

Product Information

• Purity: 95%