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

CAS 331951-05-4Formula C16H10BrFN2O3MW 377.16PubChem 2838842

This compound is a complex heterocyclic organic molecule containing bromine and fluorine, characterized by a pyranopyrane core. It is primarily intended for research and development applications in medicinal chemistry and drug discovery.

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

Chemical Identity

Molecular Formula

C16H10BrFN2O3

Molecular Weight

377.16 g/mol

Exact Mass

375.98588

PubChem CID

2838842

IUPAC Name

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

SMILES String

Cc1cc2c(c(=O)o1)C(c1ccc(F)c(Br)c1)C(C#N)=C(N)O2

Names & Synonyms

2-amino-4-(3-bromo-4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
External Identifiers
STK746888AKOS001706518AKOS016340479SS-0762CS-0332922AB00078598-01SR-01000507847SR-01000507847-1

Catalog Overview

2-amino-4-(3-bromo-4-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is a synthetic organic compound with the molecular formula C16H10BrFN2O3 and a molecular weight of 377.16 g/mol. Its structure features a pyrano[4,3-b]pyran core substituted with an amino group, a carbonitrile group, a methyl group, and a 3-bromo-4-fluorophenyl moiety. This compound belongs to the class of research-oriented and research-oriented molecules, making it a potential candidate for various chemical and biological research studies.

Use Context

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

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

Density

1.6 g/cm³

Water Solubility

Slightly soluble

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 (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood. Avoid inhalation, ingestion, and skin contact. Refer to the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

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