2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine

C18H13F3N2O2 — CID 155560291

IUPAC2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(OCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)25-16-7-4-13(5-8-16)14-6-9-17(23-11-14)24-12-15-3-1-2-10-22-15/h1-11H,12H2
InChIKeyHREDLFWNWQRDLM-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.62
Rot. Bonds5

About 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine

2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 155560291) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID155560291
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(OCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)25-16-7-4-13(5-8-16)14-6-9-17(23-11-14)24-12-15-3-1-2-10-22-15/h1-11H,12H2
InChIKeyHREDLFWNWQRDLM-UHFFFAOYSA-N
XLogP4.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine (CID 155560291) is 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1ccc(-c2ccc(OCc3ccccn3)nc2)cc1.
What is the InChIKey of 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is HREDLFWNWQRDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)25-16-7-4-13(5-8-16)14-6-9-17(23-11-14)24-12-15-3-1-2-10-22-15/h1-11H,12H2.
What are the key properties of 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine?
2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 346.31 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 155560291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).