3-ethyl-1-iodoimidazo[1,5-a]pyridine

• ChemBase ID: 275848
• Molecular Formular: C9H9IN2
• Molecular Mass: 272.08563
• Monoisotopic Mass: 271.9810463
• SMILES: n1c(c2n(c1CC)cccc2)I
• Canonical SMILES: CCc1nc(c2n1cccc2)I
• InChI: InChI=1S/C9H9IN2/c1-2-8-11-9(10)7-5-3-4-6-12(7)8/h3-6H,2H2,1H3
• InChIKey: LAEZZXRTKWPTAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-iodoimidazo[1,5-a]pyridine
• IUPAC Traditional name: 3-ethyl-1-iodoimidazo[1,5-a]pyridine
• Synonyms: 3-ethyl-1-iodoimidazo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD19381965
• PubChem SID: 164331758
• PubChem CID: 54593890

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5574204
• LogD (pH = 7.4): 2.1608498
• Log P: 2.1965384
• Molar Refractivity: 58.4749 cm^3
• Polarizability: 22.726036 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.054

Product Information

• Purity: 95%