ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

C17H13F4NO3 — CID 90166894

IUPACethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESC=Cc1ccnc(Oc2ccc(C(F)(F)F)cc2F)c1C(=O)OCC
InChIInChI=1S/C17H13F4NO3/c1-3-10-7-8-22-15(14(10)16(23)24-4-2)25-13-6-5-11(9-12(13)18)17(19,20)21/h3,5-9H,1,4H2,2H3
InChIKeyUMDPPKSUNIBRKA-UHFFFAOYSA-N
MW355.29 g/mol
LogP4.85
Rot. Bonds5

About ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 90166894) has the molecular formula C17H13F4NO3 and a molecular weight of 355.29 g/mol. Its IUPAC name is ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
PubChem CID90166894
Molecular FormulaC17H13F4NO3
Molecular Weight355.29 g/mol
Exact Mass355.08
IUPAC Nameethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESC=Cc1ccnc(Oc2ccc(C(F)(F)F)cc2F)c1C(=O)OCC
InChIInChI=1S/C17H13F4NO3/c1-3-10-7-8-22-15(14(10)16(23)24-4-2)25-13-6-5-11(9-12(13)18)17(19,20)21/h3,5-9H,1,4H2,2H3
InChIKeyUMDPPKSUNIBRKA-UHFFFAOYSA-N
XLogP4.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-ethenyl-2-(4-ethyl-2-fluorophenoxy)pyridine-3-carboxylate
CID 90166931
ethyl 4-ethenyl-2-(2-fluoro-6-methoxyphenoxy)pyridine-3-carboxylate
CID 90167103
ethyl 2-[5-(cyanomethyl)-2-fluorophenoxy]-4-ethenylpyridine-3-carboxylate
CID 90167127
ethyl 2-(4-cyano-2-fluoro-6-methylphenoxy)-4-ethenylpyridine-3-carboxylate
CID 90167196
ethyl 2-(2,2-difluorobutoxy)-4-ethenylpyridine-3-carboxylate;ethyl 2-(2,2-difluorobutoxy)-4-formylpyridine-3-carboxylate
CID 158253204
ethyl 2-(2-fluoro-4,6-dimethylphenoxy)-4-formylpyridine-3-carboxylate
CID 90167369
ethyl 4-[4-(1,1-difluoroethyl)phenoxy]-3-fluorobenzoate
CID 142415329
ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481
ethyl (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 10825341
ethyl 2-methyl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)anilino]quinoline-3-carboxylate
CID 162621200
ethyl 2-[(6,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-4-ethenylpyridine-3-carboxylate
CID 90167198
diethyl 5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate
CID 102309661

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (CID 90166894) is ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is C=Cc1ccnc(Oc2ccc(C(F)(F)F)cc2F)c1C(=O)OCC.
What is the InChIKey of ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is UMDPPKSUNIBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO3/c1-3-10-7-8-22-15(14(10)16(23)24-4-2)25-13-6-5-11(9-12(13)18)17(19,20)21/h3,5-9H,1,4H2,2H3.
What are the key properties of ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 355.29 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethenyl-2-[2-fluoro-4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 90166894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).