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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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related CAS / Similar Products

2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrileCAS 311333-68-34-Chloro-2-methyl-3-propylquinoline-6-carboxylic acidCAS 332150-03-52-amino-4-(2,3-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrileCAS 329716-18-95-(P-Tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrimidine-3-carboxylic acidCAS 332858-81-8

Similar products (text references)

338979-26-3CAS 338979-26-3
1092346-10-5CAS 1092346-10-5
706768-94-7CAS 706768-94-7
1092346-50-3CAS 1092346-50-3

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293499GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Related catalog entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 311333-68-32-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrileCAS 220986-43-62-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrileCAS 315246-01-62-amino-7-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]pyran-3-carbonitrileCAS 315246-08-32-amino-4-(3,4-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrileCAS 329716-18-92-amino-4-(2,3-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrileCAS 220986-38-94H,5H-Pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1279713-77-7CU CPT 4a