structure of methyl 4-nitro-1H-indole-6-carboxylate

methyl 4-nitro-1H-indole-6-carboxylate

CAS No.: 1000343-62-3
M. Wt: 220.182
M. Fa: C10H8N2O4
InChI Key: IFOFOPSZBXKRAG-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of methyl 4-nitro-1H-indole-6-carboxylate

CAS Number

1000343-62-3

MDL Number

MFCD09880080

IUPAC Name

methyl 4-nitro-1H-indole-6-carboxylate

InChI

InChI=1S/C10H8N2O4/c1-16-10(13)6-4-8-7(2-3-11-8)9(5-6)12(14)15/h2-5,11H,1H3

InChIKey

IFOFOPSZBXKRAG-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=CC2=C(C=CN2)C(=C1)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of methyl 4-nitro-1H-indole-6-carboxylate

Acidity coefficient

13.56±0.30(Predicted)

Boiling Point

427.2±25.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

220.048401

Flash Point

212.2±23.2 °C

Index of Refraction

1.673

LogP

1.74

Molecular Formula

C10H8N2O4

Molecular Weight

220.182

PSA

87.91000

Storage condition

Inert atmosphere,Room Temperature

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of methyl 4-nitro-1H-indole-6-carboxylate

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of methyl 4-nitro-1H-indole-6-carboxylate

Methyl 4-nitro-1H-indole-6-carboxylate has several applications across various fields:

  • Pharmaceuticals: Due to its potential anticancer and antimicrobial activities, it serves as a lead compound for drug development.
  • Chemical Research: It is utilized as a building block in organic synthesis for creating more complex molecules.
  • Material Science: The compound may find applications in developing new materials with specific electronic or optical properties due to its unique structure.

Interaction Studies of methyl 4-nitro-1H-indole-6-carboxylate

Interaction studies involving methyl 4-nitro-1H-indole-6-carboxylate focus on its interactions with biological targets:

  • Enzyme Inhibition: Investigations into how this compound inhibits specific enzymes related to cancer progression or microbial growth are ongoing.
  • Receptor Binding: Studies may also explore how this compound interacts with neurotransmitter receptors, potentially revealing neuroprotective mechanisms.

Biological Activity of methyl 4-nitro-1H-indole-6-carboxylate

Research indicates that methyl 4-nitro-1H-indole-6-carboxylate may exhibit significant biological activities, particularly in pharmacology. Compounds with similar structures have been associated with:

  • Anticancer Properties: Some indole derivatives show cytotoxic effects against various cancer cell lines, suggesting potential applications in cancer therapy.
  • Antimicrobial Activity: Indoles are known for their antimicrobial properties, which could also extend to this compound.
  • Neuroprotective Effects: Certain indole derivatives have been studied for their neuroprotective capabilities, indicating potential use in treating neurodegenerative diseases.

Physical sample testing spectrum (NMR) of methyl 4-nitro-1H-indole-6-carboxylate

Physical sample testing spectrum (NMR) of methyl 4-nitro-1H-indole-6-carboxylate