Research chemical
CAS Number: 2940957-33-3
![6-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]-5-ethyl-pyridine-2-carboxylic acid molecular structure, CAS 2940957-33-3](/structure-images/2940957-33-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168432851
Exact Mass
359.053606
InChIKey
VLCAAGJJBQZOBF-UHFFFAOYSA-N
IUPAC Name
6-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-ethylpyridine-2-carboxylic acid
SMILES String
CCc1ccc(C(=O)O)nc1COc1ccc(C(F)(F)F)cc1Cl
Appearance
6-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]-5-ethyl-pyridine-2-carboxylic acid is identified by CAS 2940957-33-3, with molecular formula C16H13ClF3NO3, molecular weight 359.73, InChIKey VLCAAGJJBQZOBF-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
White to off-white solid
Physical State
Solid
Melting Point
155.0 °C
Boiling Point
380.0 °C
Density
1.4 g/cm³
Water Solubility
Slightly soluble
Flash Point
217.0 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
350.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
24
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
59.42 Ų
Computed LogP
4.59
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
6-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]-5-ethyl-pyridine-2-carboxylic acid is a complex organic molecule suitable for research applications in medicinal chemistry and drug discovery, falling into the research-oriented chemical scaffold.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
For research use in synthetic chemistry, medicinal chemistry, and drug discovery programs, particularly for exploring novel chemical entities or as a building block for more complex molecules.
Documentation needs
Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.