8-iodo-7-methoxyimidazo[1,2-a]pyridine

• ChemBase ID: 65697
• Molecular Formular: C8H7IN2O
• Molecular Mass: 274.05845
• Monoisotopic Mass: 273.96031085
• SMILES: c1cn2c(c(c1OC)I)ncc2
• Canonical SMILES: COc1ccn2c(c1I)ncc2
• InChI: InChI=1S/C8H7IN2O/c1-12-6-2-4-11-5-3-10-8(11)7(6)9/h2-5H,1H3
• InChIKey: UAGXMASIVSLVMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-iodo-7-methoxyimidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-iodo-7-methoxyimidazo[1,2-a]pyridine
• Synonyms: 8-Iodo-7-methoxyimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD21609485
• PubChem SID: 162031436
• PubChem CID: 71299171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2512945
• LogD (pH = 7.4): 1.5254745
• Log P: 1.5308226
• Molar Refractivity: 55.7621 cm^3
• Polarizability: 21.073841 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false