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

• ChemBase ID: 43121
• Molecular Formular: C10H8Cl2N2O2
• Molecular Mass: 259.08872
• Monoisotopic Mass: 257.99628287
• SMILES: n1c2n(cc1C(=O)OCC)cc(cc2Cl)Cl
• Canonical SMILES: CCOC(=O)c1cn2c(n1)c(Cl)cc(c2)Cl
• InChI: InChI=1S/C10H8Cl2N2O2/c1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h3-5H,2H2,1H3
• InChIKey: QPDWMYCWZHTXNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02325395
• PubChem SID: 162047884
• PubChem CID: 901009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5122368
• LogD (pH = 7.4): 2.5137546
• Log P: 2.513774
• Molar Refractivity: 61.9479 cm^3
• Polarizability: 23.475557 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 170 °C; 169-170°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%