methyl 3-cyano-1H-indole-6-carboxylate
CAS No.:
1000576-51-1
M. Wt:
200.19300
M. Fa:
C11H8N2O2
InChI Key:
YBZVEPCMUWGFNW-UHFFFAOYSA-N
Appearance:
Yellow-brown Solid
Names and Identifiers of methyl 3-cyano-1H-indole-6-carboxylate
CAS Number |
1000576-51-1 |
|---|---|
MDL Number |
MFCD09878564 |
IUPAC Name |
methyl 3-cyano-1H-indole-6-carboxylate |
InChI |
InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-9-8(5-12)6-13-10(9)4-7/h2-4,6,13H,1H3 |
InChIKey |
YBZVEPCMUWGFNW-UHFFFAOYSA-N |
Canonical SMILES |
COC(=O)C1=CC2=C(C=C1)C(=CN2)C#N |
UNSPSC Code |
12352100 |
Physical and chemical properties of methyl 3-cyano-1H-indole-6-carboxylate
Acidity coefficient |
13.41±0.30(Predicted) |
|---|---|
Boiling Point |
413.5±25.0 °C(Predicted) |
Density |
1.33±0.1 g/cm3(Predicted) |
Exact Mass |
200.05900 |
LogP |
1.82618 |
Molecular Formula |
C11H8N2O2 |
Molecular Weight |
200.19300 |
PSA |
65.88000 |
Storage condition |
2-8°C |
Safety Information of methyl 3-cyano-1H-indole-6-carboxylate
Applications of methyl 3-cyano-1H-indole-6-carboxylate
Methyl 3-cyanoindole-6-carboxylate has several potential applications:
- Pharmaceutical Development: Its structural features make it a candidate for drug development, particularly in creating new antimicrobial or anticancer agents.
- Chemical Research: As a building block in organic synthesis, it can be used to create more complex molecules with desired properties.
- Material Science: Its unique chemical properties may find applications in developing novel materials with specific functionalities.
Interaction Studies of methyl 3-cyano-1H-indole-6-carboxylate
Research into the interactions of methyl 3-cyanoindole-6-carboxylate with biological molecules is limited but crucial for understanding its potential therapeutic effects. Studies focusing on:
- Protein Binding: Understanding how this compound interacts with proteins could provide insights into its mechanism of action.
- Enzyme Inhibition: Investigating whether it acts as an inhibitor for specific enzymes could reveal its pharmacological potential.
Such studies are essential to elucidate the compound's biological profile and therapeutic viability.
Physical sample testing spectrum (NMR) of methyl 3-cyano-1H-indole-6-carboxylate
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