structure of 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine

3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine

CAS No.: 1000340-40-8
M. Wt: 289.030
M. Fa: C7H4IN3O2
InChI Key: XLVXZIOZDIALSM-UHFFFAOYSA-N
Appearance: yellow solid

Names and Identifiers of 1000340-40-8

CAS Number

1000340-40-8

MDL Number

MFCD09880134

IUPAC Name

3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine

InChI

InChI=1S/C7H4IN3O2/c8-4-3-10-7-6(4)5(11(12)13)1-2-9-7/h1-3H,(H,9,10)

InChIKey

XLVXZIOZDIALSM-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C2C(=C1[N+](=O)[O-])C(=CN2)I

UNSPSC Code

12352100

Physical and chemical properties of 1000340-40-8

Boiling Point

460.6±40.0 °C at 760 mmHg

Density

2.2±0.1 g/cm3

Exact Mass

288.934814

Flash Point

232.4±27.3 °C

Index of Refraction

1.818

LogP

2.80

Molecular Formula

C7H4IN3O2

Molecular Weight

289.030

PSA

74.50000

Vapour Pressure

0.0±1.1 mmHg at 25°C

Safety Information of 1000340-40-8

Pictograms

Signal Word

 Warning

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

Applications of 1000340-40-8

The applications of 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine are diverse:

  • Medicinal Chemistry: Investigated as a potential drug candidate targeting various biological pathways, particularly in cancer therapy.
  • Material Science: Its unique structure may allow for use in developing organic semiconductors or sensors due to its electronic properties.
  • Chemical Research: Used as a building block in synthesizing more complex heterocyclic compounds and exploring new

Interaction Studies of 1000340-40-8

Studies focusing on the interactions of 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine with biological targets have revealed its role as an inhibitor of proton pumps. This interaction is significant for reducing gastric acidity and providing therapeutic benefits for conditions such as peptic ulcers or gastroesophageal reflux disease. Further research into its binding affinity and mechanism of action is necessary to fully elucidate its pharmacological profile.

Biological Activity of 1000340-40-8

Research indicates that 3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine exhibits significant biological activity. It has been explored for its potential therapeutic properties, particularly in cancer research due to its ability to inhibit specific molecular targets. Additionally, compounds in the pyrrolo[2,3-b]pyridine class have shown inhibitory effects on enzymes like H/K ATPase, which is crucial for gastric acid secretion, suggesting applications in treating acid-related diseases.

Retrosynthesis analysis of 1000340-40-8

  • Route#1

    Cas:83683-82-3
    Cas:1000340-40-8