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

• ChemBase ID: 43102
• Molecular Formular: C11H11IN2O2
• Molecular Mass: 330.12171
• Monoisotopic Mass: 329.9865256
• SMILES: n1c2n(cc1C(=O)OCC)cc(cc2C)I
• Canonical SMILES: Cc1cc(I)cn2c1nc(c2)C(=O)OCC
• InChI: InChI=1S/C11H11IN2O2/c1-3-16-11(15)9-6-14-5-8(12)4-7(2)10(14)13-9/h4-6H,3H2,1-2H3
• InChIKey: MWKDLTYUKVBKHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09152737
• PubChem SID: 162047865
• PubChem CID: 24213782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7279842
• LogD (pH = 7.4): 2.7477918
• Log P: 2.7480505
• Molar Refractivity: 70.742 cm^3
• Polarizability: 26.572937 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136 °C; 134-136°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%