Chemical Identity
Molecular Formula
C8H4ClF3N2O
Molecular Weight
236.58 g/mol
Exact Mass
235.996425
PubChem CID
30772169
IUPAC Name
5-chloro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILES String
Cc1nc(O)c(C#N)c(C(F)(F)F)c1Cl
Names & Synonyms
External Identifiers
Catalog Overview
5-Chloro-2-hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile is a complex organic compound characterized by its nicotinonitrile core, a pyridine ring substituted with a nitrile group. Key substituents include a chlorine atom at position 5, a hydroxyl group at position 2 (which can exist in tautomeric equilibrium with a 2-oxo form, as indicated by its IUPAC name 5-chloro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile), a methyl group at position 6, and a trifluoromethyl group at position 4. This unique combination of functional groups makes it a versatile intermediate in the synthesis of more complex heterocyclic...
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
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Read more catalog context
5-Chloro-2-hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile is a complex organic compound characterized by its nicotinonitrile core, a pyridine ring substituted with a nitrile group. Key substituents include a chlorine atom at position 5, a hydroxyl group at position 2 (which can exist in tautomeric equilibrium with a 2-oxo form, as indicated by its IUPAC name 5-chloro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile), a methyl group at position 6, and a trifluoromethyl group at position 4. This unique combination of functional groups makes it a versatile intermediate in the synthesis of more complex heterocyclic compounds, particularly within pharmaceutical and agrochemical research. Its trifluoromethyl group can impart specific physicochemical properties, such as increased lipophilicity and metabolic stability, which are often desirable in drug discovery.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
130.0 °C
Boiling Point
284.0 °C
Density
1.46 g/cm³
Water Solubility
Slightly soluble
Flash Point
164.0 °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 5-Chloro-2-hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a 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. Always consult the Safety Data Sheet (SDS) for detailed safety information before use.
Related Products / Graph Discovery
Related products, derivatives, keywords, and application cues for catalog discovery.
Related products and analog discovery will be available as catalog graph data is expanded.