5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine

C15H11F6NO3 — CID 170311859

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1
InChIInChI=1S/C15H11F6NO3/c1-8-5-10(7-22-13(8)14(16,17)18)24-11-4-3-9(6-12(11)23-2)25-15(19,20)21/h3-7H,1-2H3
InChIKeyVSLXMCCNPZHUBH-UHFFFAOYSA-N
MW367.25 g/mol
LogP5.11
Rot. Bonds4

About 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine

5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine (PubChem CID 170311859) has the molecular formula C15H11F6NO3 and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
PubChem CID170311859
Molecular FormulaC15H11F6NO3
Molecular Weight367.25 g/mol
Exact Mass367.06
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1
InChIInChI=1S/C15H11F6NO3/c1-8-5-10(7-22-13(8)14(16,17)18)24-11-4-3-9(6-12(11)23-2)25-15(19,20)21/h3-7H,1-2H3
InChIKeyVSLXMCCNPZHUBH-UHFFFAOYSA-N
XLogP5.11
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine (CID 170311859) is 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine is COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is VSLXMCCNPZHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO3/c1-8-5-10(7-22-13(8)14(16,17)18)24-11-4-3-9(6-12(11)23-2)25-15(19,20)21/h3-7H,1-2H3.
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 367.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 170311859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).