1-iodo-3-methylimidazo[1,5-a]pyridine

• ChemBase ID: 275849
• Molecular Formular: C8H7IN2
• Molecular Mass: 258.05905
• Monoisotopic Mass: 257.96539623
• SMILES: n1c(c2n(c1C)cccc2)I
• Canonical SMILES: Cc1nc(c2n1cccc2)I
• InChI: InChI=1S/C8H7IN2/c1-6-10-8(9)7-4-2-3-5-11(6)7/h2-5H,1H3
• InChIKey: YPGQAILGQDNTQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-3-methylimidazo[1,5-a]pyridine
• IUPAC Traditional name: 1-iodo-3-methylimidazo[1,5-a]pyridine
• Synonyms: 1-iodo-3-methylimidazo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD19381966
• PubChem SID: 164331759
• PubChem CID: 54593891

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.844818
• LogD (pH = 7.4): 1.4505513
• Log P: 1.4960024
• Molar Refractivity: 53.848 cm^3
• Polarizability: 20.912497 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.525

Product Information

• Purity: 95%