4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine

C17H15F6NO3S — CID 91278381

IUPAC4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
SMILESCCC(Oc1cc(OC)cc(Oc2cccc(C(F)(F)F)c2)n1)SC(F)(F)F
InChIInChI=1S/C17H15F6NO3S/c1-3-15(28-17(21,22)23)27-14-9-12(25-2)8-13(24-14)26-11-6-4-5-10(7-11)16(18,19)20/h4-9,15H,3H2,1-2H3
InChIKeyLIVUWKWTMWXJLU-UHFFFAOYSA-N
MW427.37 g/mol
LogP6.27
Rot. Bonds7

About 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine

4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine (PubChem CID 91278381) has the molecular formula C17H15F6NO3S and a molecular weight of 427.37 g/mol. Its IUPAC name is 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine.

Molecular Properties

Compound Name4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
PubChem CID91278381
Molecular FormulaC17H15F6NO3S
Molecular Weight427.37 g/mol
Exact Mass427.07
IUPAC Name4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
SMILESCCC(Oc1cc(OC)cc(Oc2cccc(C(F)(F)F)c2)n1)SC(F)(F)F
InChIInChI=1S/C17H15F6NO3S/c1-3-15(28-17(21,22)23)27-14-9-12(25-2)8-13(24-14)26-11-6-4-5-10(7-11)16(18,19)20/h4-9,15H,3H2,1-2H3
InChIKeyLIVUWKWTMWXJLU-UHFFFAOYSA-N
XLogP6.27
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.37
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
CID 90766174
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
2-methoxy-6-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 43262396
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine
CID 73453968
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
CID 91023650
2-[3-chloro-3-(trifluoromethylsulfanyl)prop-2-enoxy]-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 91149649
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
4-methyl-2-[(E)-4,4,4-trifluorobut-2-enoxy]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 22572629
1-methoxy-3-nitro-5-[3-(trifluoromethyl)phenoxy]benzene
CID 166074049

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine?
The IUPAC name of 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine (CID 91278381) is 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine.
What is the SMILES notation for 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine?
The canonical SMILES for 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine is CCC(Oc1cc(OC)cc(Oc2cccc(C(F)(F)F)c2)n1)SC(F)(F)F.
What is the InChIKey of 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine?
The InChIKey is LIVUWKWTMWXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO3S/c1-3-15(28-17(21,22)23)27-14-9-12(25-2)8-13(24-14)26-11-6-4-5-10(7-11)16(18,19)20/h4-9,15H,3H2,1-2H3.
What are the key properties of 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine?
4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine has a molecular weight of 427.37 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine is sourced from PubChem (CID 91278381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).