3-iodo-2-methylimidazo[1,2-a]pyridine

• ChemBase ID: 282713
• Molecular Formular: C8H7IN2
• Molecular Mass: 258.05905
• Monoisotopic Mass: 257.96539623
• SMILES: n12c(c(nc1cccc2)C)I
• Canonical SMILES: Ic1c(C)nc2n1cccc2
• InChI: InChI=1S/C8H7IN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,1H3
• InChIKey: WVBBCCYFLGRLCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-2-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-iodo-2-methylimidazo[1,2-a]pyridine
• Synonyms: 3-iodo-2-methylimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD16250856
• PubChem SID: 180668244
• PubChem CID: 54595479

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8622568
• LogD (pH = 7.4): 2.1379602
• Log P: 2.1429937
• Molar Refractivity: 52.1893 cm^3
• Polarizability: 20.289845 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 2.525

Product Information

• Purity: 95%