TXO

5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

Created:	2023-05-09
Last modified:	2023-06-14

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2 entries where TXO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of TXO

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Chemical Component Summary
Name	5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-phenoxy-2-(trifluoromethyl)-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxylic acid
Formula	C₁₅ H₉ F₆ N O₄
Molecular Weight	381.227
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)Oc1ccccc1
SMILES	CACTVS	3.385	OC(=O)c1cc(Oc2ccccc2)c(OCC(F)(F)F)nc1C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cc(c(nc2OCC(F)(F)F)C(F)(F)F)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(Oc2ccccc2)c(OCC(F)(F)F)nc1C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cc(c(nc2OCC(F)(F)F)C(F)(F)F)C(=O)O
InChI	InChI	1.06	InChI=1S/C15H9F6NO4/c16-14(17,18)7-25-12-10(26-8-4-2-1-3-5-8)6-9(13(23)24)11(22-12)15(19,20)21/h1-6H,7H2,(H,23,24)
InChIKey	InChI	1.06	XNHJSACITZKERU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300870

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