5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine

C18H10F6N2O2 — CID 2825276

IUPAC5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc1
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)11-1-7-15(25-9-11)27-13-3-5-14(6-4-13)28-16-8-2-12(10-26-16)18(22,23)24/h1-10H
InChIKeyYGGPYDIORZHIRV-UHFFFAOYSA-N
MW400.28 g/mol
LogP6.10
Rot. Bonds4

About 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine

5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine (PubChem CID 2825276) has the molecular formula C18H10F6N2O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine
PubChem CID2825276
Molecular FormulaC18H10F6N2O2
Molecular Weight400.28 g/mol
Exact Mass400.06
IUPAC Name5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc1
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)11-1-7-15(25-9-11)27-13-3-5-14(6-4-13)28-16-8-2-12(10-26-16)18(22,23)24/h1-10H
InChIKeyYGGPYDIORZHIRV-UHFFFAOYSA-N
XLogP6.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine?
The IUPAC name of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine (CID 2825276) is 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine?
The canonical SMILES for 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine is FC(F)(F)c1ccc(Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc1.
What is the InChIKey of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine?
The InChIKey is YGGPYDIORZHIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O2/c19-17(20,21)11-1-7-15(25-9-11)27-13-3-5-14(6-4-13)28-16-8-2-12(10-26-16)18(22,23)24/h1-10H.
What are the key properties of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine?
5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine has a molecular weight of 400.28 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pyridine is sourced from PubChem (CID 2825276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).