2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine

C17H12F3NOS — CID 4109182

IUPAC2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1cccc(COc2cccc(-c3ccsc3)n2)c1
InChIInChI=1S/C17H12F3NOS/c18-17(19,20)14-4-1-3-12(9-14)10-22-16-6-2-5-15(21-16)13-7-8-23-11-13/h1-9,11H,10H2
InChIKeyRYVMXXQNEAPCSS-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.41
Rot. Bonds4

About 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine

2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine (PubChem CID 4109182) has the molecular formula C17H12F3NOS and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
PubChem CID4109182
Molecular FormulaC17H12F3NOS
Molecular Weight335.35 g/mol
Exact Mass335.06
IUPAC Name2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFC(F)(F)c1cccc(COc2cccc(-c3ccsc3)n2)c1
InChIInChI=1S/C17H12F3NOS/c18-17(19,20)14-4-1-3-12(9-14)10-22-16-6-2-5-15(21-16)13-7-8-23-11-13/h1-9,11H,10H2
InChIKeyRYVMXXQNEAPCSS-UHFFFAOYSA-N
XLogP5.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
The IUPAC name of 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine (CID 4109182) is 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
The canonical SMILES for 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine is FC(F)(F)c1cccc(COc2cccc(-c3ccsc3)n2)c1.
What is the InChIKey of 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
The InChIKey is RYVMXXQNEAPCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NOS/c18-17(19,20)14-4-1-3-12(9-14)10-22-16-6-2-5-15(21-16)13-7-8-23-11-13/h1-9,11H,10H2.
What are the key properties of 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine?
2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine has a molecular weight of 335.35 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 4109182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).