6-chloroimidazo[1,2-a]pyridine-5-carbaldehyde

• ChemBase ID: 102044
• Molecular Formular: C8H5ClN2O
• Molecular Mass: 180.5911
• Monoisotopic Mass: 180.00904047
• SMILES: c1(c(n2c(cc1)ncc2)C=O)Cl
• Canonical SMILES: O=Cc1c(Cl)ccc2n1ccn2
• InChI: InChI=1S/C8H5ClN2O/c9-6-1-2-8-10-3-4-11(8)7(6)5-12/h1-5H
• InChIKey: TUQXTHHENKSQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyridine-5-carbaldehyde
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyridine-5-carbaldehyde
• Synonyms: 6-Chloroimidazo[1,2-a]pyridine-5-carbaldehyde

Database IDs

• PubChem SID: 162105680
• PubChem CID: 71300174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24599543
• LogD (pH = 7.4): 0.95452636
• Log P: 0.99609756
• Molar Refractivity: 47.2027 cm^3
• Polarizability: 17.119259 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true