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5-Chloro-2-hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile

CAS 1092352-68-5Formula C8H4ClF3N2OMW 236.58PubChem 30772169

5-Chloro-2-hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile (CAS 1092352-68-5) is a pyridine derivative featuring chloro, hydroxyl, methyl, trifluoromethyl, and nitrile functional groups. With a molecular formula of C8H4ClF3N2O and a molecular weight of 236.58, it is primarily utilized as a heterocycle building block in research and development.

Loading RDKit molecule structure...
InChIKey: ASIAROODYAVYRI-UHFFFAOYSA-NC8H4ClF3N2O | MW 236.58

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

5-chloro-2-hydroxy-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile5-Chloro-2-hydroxy-6-methyl-4-(trifluoromethyl)-nicotinonitrile5-Chloro-1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)-3-pyridinecarbonitrile5-Chloro-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile5-Chloro-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
External Identifiers
MFCD11501054DTXSID101137227SBB098651AKOS005073093KC-0700CS-0440770

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
  • COA, SDS, pricing, and fulfillment workflow
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

Estimated

Estimated / 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

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 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.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293339GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

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

Catalog navigation

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