Chemical Identity
Molecular Formula
C16H10F2N2O3
Molecular Weight
316.26 g/mol
Exact Mass
316.065949
PubChem CID
2838859
IUPAC Name
2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILES String
Cc1cc2c(c(=O)o1)C(c1ccc(F)c(F)c1)C(C#N)=C(N)O2
Names & Synonyms
External Identifiers
Catalog Overview
2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is a synthetic organic compound with the molecular formula C16H10F2N2O3 and a molecular weight of 316. 26 g/mol. Its structure incorporates a fused pyranopyran heterocyclic system, which is a common scaffold in biologically active molecules. Key functional groups include an amino group, a carbonitrile group, a methyl group, and a 3,4-difluorophenyl substituent, which introduces fluorine atoms known to influence pharmacokinetic properties.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
2-amino-4-(3,4-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is a synthetic organic compound with the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its structure incorporates a fused pyranopyran heterocyclic system, which is a common scaffold in biologically active molecules. Key functional groups include an amino group, a carbonitrile group, a methyl group, and a 3,4-difluorophenyl substituent, which introduces fluorine atoms known to influence pharmacokinetic properties. This compound's classification as research-oriented/research-oriented suggests its potential utility in early-stage drug discovery research, particularly in exploring structure-activity relationships or as a building block for more complex molecular architectures. It is intended for Research Use Only (RUO).
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
180.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
250.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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 fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency 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.
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