ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 43119
• Molecular Formular: C10H9IN2O2
• Molecular Mass: 316.09513
• Monoisotopic Mass: 315.97087554
• SMILES: c1(c(n2c(n1)cccc2)I)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nc2n(c1I)cccc2
• InChI: InChI=1S/C10H9IN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
• InChIKey: JVTBABJAZWPLGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 292858-07-2
• MDL Number: MFCD06739188
• PubChem SID: 162047882
• PubChem CID: 10567382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3334053
• LogD (pH = 7.4): 2.3346167
• Log P: 2.3346322
• Molar Refractivity: 63.9997 cm^3
• Polarizability: 24.910336 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146 °C; 144-146°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%