5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine

C18H15F6NO3 — CID 154644952

IUPAC5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(C(F)(F)F)nc1C
InChIInChI=1S/C18H15F6NO3/c1-9-14(8-12(10-3-4-10)16(25-9)17(19,20)21)27-13-6-5-11(7-15(13)26-2)28-18(22,23)24/h5-8,10H,3-4H2,1-2H3
InChIKeyMUXGJIXFYUPSQD-UHFFFAOYSA-N
MW407.31 g/mol
LogP5.99
Rot. Bonds5

About 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine

5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 154644952) has the molecular formula C18H15F6NO3 and a molecular weight of 407.31 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine
PubChem CID154644952
Molecular FormulaC18H15F6NO3
Molecular Weight407.31 g/mol
Exact Mass407.10
IUPAC Name5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(C(F)(F)F)nc1C
InChIInChI=1S/C18H15F6NO3/c1-9-14(8-12(10-3-4-10)16(25-9)17(19,20)21)27-13-6-5-11(7-15(13)26-2)28-18(22,23)24/h5-8,10H,3-4H2,1-2H3
InChIKeyMUXGJIXFYUPSQD-UHFFFAOYSA-N
XLogP5.99
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine (CID 154644952) is 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2CC2)c(C(F)(F)F)nc1C.
What is the InChIKey of 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is MUXGJIXFYUPSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO3/c1-9-14(8-12(10-3-4-10)16(25-9)17(19,20)21)27-13-6-5-11(7-15(13)26-2)28-18(22,23)24/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine?
5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 407.31 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 154644952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).