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2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile

CAS 311333-68-3Formula C16H10BrFN2O3MW 377.16PubChem 3125808

This is a complex heterocyclic compound featuring a pyranopyrane core substituted with an amino group, a carbonitrile, a methyl group, and a bromofluorophenyl moiety. Classified as a research-oriented/research-oriented molecule, it holds potential utility in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: JTABFOTVWHKDHX-UHFFFAOYSA-NC16H10BrFN2O3 | MW 377.16

Chemical Identity

Molecular Formula

C16H10BrFN2O3

Molecular Weight

377.16 g/mol

Exact Mass

375.98588

PubChem CID

3125808

IUPAC Name

2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

SMILES String

Cc1cc2c(c(=O)o1)C(c1cc(Br)ccc1F)C(C#N)=C(N)O2

Names & Synonyms

2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile
External Identifiers
STK754131AKOS000675068AKOS016340509SS-0814CS-0333161SR-01000513947SR-01000513947-1

Catalog Overview

2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is an organic compound with the molecular formula C16H10BrFN2O3 and a molecular weight of 377.16. It features a fused pyranopyrane ring system, specifically a 4H,5H-pyrano[4,3-b]pyran, substituted with an amino group, a carbonitrile group, a methyl group, and a 5-bromo-2-fluorophenyl moiety. The presence of halogen atoms (bromine and fluorine) and nitrogen-containing heterocycles contributes to its potential for diverse chemical interactions and biological activity, making it relevant for research in synthetic organic chemistry and...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is an organic compound with the molecular formula C16H10BrFN2O3 and a molecular weight of 377.16. It features a fused pyranopyrane ring system, specifically a 4H,5H-pyrano[4,3-b]pyran, substituted with an amino group, a carbonitrile group, a methyl group, and a 5-bromo-2-fluorophenyl moiety. The presence of halogen atoms (bromine and fluorine) and nitrogen-containing heterocycles contributes to its potential for diverse chemical interactions and biological activity, making it relevant for research in synthetic organic chemistry and pharmaceutical development.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

220.0 °C

Boiling Point

500.0 °C

Density

1.55 g/cm³

Water Solubility

Slightly soluble to insoluble

Flash Point

250.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed safety information before use.

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