6-chloro-3-iodoimidazo[1,2-a]pyridine-5-carbaldehyde

• ChemBase ID: 102048
• Molecular Formular: C8H4ClIN2O
• Molecular Mass: 306.48763
• Monoisotopic Mass: 305.90568844
• SMILES: c1(c(n2c(cc1)ncc2I)C=O)Cl
• Canonical SMILES: O=Cc1c(Cl)ccc2n1c(I)cn2
• InChI: InChI=1S/C8H4ClIN2O/c9-5-1-2-8-11-3-7(10)12(8)6(5)4-13/h1-4H
• InChIKey: UNWOFNXNBGAWGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-iodoimidazo[1,2-a]pyridine-5-carbaldehyde
• IUPAC Traditional name: 6-chloro-3-iodoimidazo[1,2-a]pyridine-5-carbaldehyde
• Synonyms: 6-Chloro-3-iodoimidazo[1,2-a]pyridine-5-carbaldehyde

Database IDs

• PubChem SID: 162105659
• PubChem CID: 71300153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8599129
• LogD (pH = 7.4): 2.0858533
• Log P: 2.0898466
• Molar Refractivity: 58.8641 cm^3
• Polarizability: 22.543169 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true