ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate

C15H11F3N2O3S — CID 2728484

IUPACethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C15H11F3N2O3S/c1-2-22-13(21)8-23-14-9(7-19)10(15(16,17)18)6-11(20-14)12-4-3-5-24-12/h3-6H,2,8H2,1H3
InChIKeyWQZPBBRRHCPGPQ-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.64
Rot. Bonds5

About ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate

ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate (PubChem CID 2728484) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate
PubChem CID2728484
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Nameethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C15H11F3N2O3S/c1-2-22-13(21)8-23-14-9(7-19)10(15(16,17)18)6-11(20-14)12-4-3-5-24-12/h3-6H,2,8H2,1H3
InChIKeyWQZPBBRRHCPGPQ-UHFFFAOYSA-N
XLogP3.64
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate (CID 2728484) is ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate is CCOC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
The InChIKey is WQZPBBRRHCPGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c1-2-22-13(21)8-23-14-9(7-19)10(15(16,17)18)6-11(20-14)12-4-3-5-24-12/h3-6H,2,8H2,1H3.
What are the key properties of ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate?
ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate has a molecular weight of 356.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 2728484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).