8-iodo-6-methylimidazo[1,2-a]pyridine

• ChemBase ID: 65698
• Molecular Formular: C8H7IN2
• Molecular Mass: 258.05905
• Monoisotopic Mass: 257.96539623
• SMILES: c1(cn2c(c(c1)I)ncc2)C
• Canonical SMILES: Cc1cc(I)c2n(c1)ccn2
• InChI: InChI=1S/C8H7IN2/c1-6-4-7(9)8-10-2-3-11(8)5-6/h2-5H,1H3
• InChIKey: SMRSBXOQYLSCEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-iodo-6-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-iodo-6-methylimidazo[1,2-a]pyridine
• Synonyms: 8-Iodo-6-methylimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD21609486
• PubChem SID: 162031437
• PubChem CID: 71299172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6101437
• LogD (pH = 7.4): 2.1808393
• Log P: 2.2019153
• Molar Refractivity: 54.3401 cm^3
• Polarizability: 20.229052 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false