pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine

C22H17F3N2O2S — CID 19957404

IUPACpyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESFC(F)(F)c1cccc(Oc2cccc(OCc3ccsc3)n2)c1.c1ccncc1
InChIInChI=1S/C17H12F3NO2S.C5H5N/c18-17(19,20)13-3-1-4-14(9-13)23-16-6-2-5-15(21-16)22-10-12-7-8-24-11-12;1-2-4-6-5-3-1/h1-9,11H,10H2;1-5H
InChIKeyHHVIOJUSBQFTIC-UHFFFAOYSA-N
MW430.45 g/mol
LogP6.61
Rot. Bonds5

About pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine

pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 19957404) has the molecular formula C22H17F3N2O2S and a molecular weight of 430.45 g/mol. Its IUPAC name is pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Namepyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID19957404
Molecular FormulaC22H17F3N2O2S
Molecular Weight430.45 g/mol
Exact Mass430.10
IUPAC Namepyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESFC(F)(F)c1cccc(Oc2cccc(OCc3ccsc3)n2)c1.c1ccncc1
InChIInChI=1S/C17H12F3NO2S.C5H5N/c18-17(19,20)13-3-1-4-14(9-13)23-16-6-2-5-15(21-16)22-10-12-7-8-24-11-12;1-2-4-6-5-3-1/h1-9,11H,10H2;1-5H
InChIKeyHHVIOJUSBQFTIC-UHFFFAOYSA-N
XLogP6.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine (CID 19957404) is pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine is FC(F)(F)c1cccc(Oc2cccc(OCc3ccsc3)n2)c1.c1ccncc1.
What is the InChIKey of pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is HHVIOJUSBQFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2S.C5H5N/c18-17(19,20)13-3-1-4-14(9-13)23-16-6-2-5-15(21-16)22-10-12-7-8-24-11-12;1-2-4-6-5-3-1/h1-9,11H,10H2;1-5H.
What are the key properties of pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine?
pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 430.45 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2-(thiophen-3-ylmethoxy)-6-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 19957404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).