4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine

C15H12F6N2O2S — CID 18620460

IUPAC4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
SMILESCc1cc(OCCSC(F)(F)F)nc(Oc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F6N2O2S/c1-9-6-12(24-4-5-26-15(19,20)21)23-13(7-9)25-10-2-3-22-11(8-10)14(16,17)18/h2-3,6-8H,4-5H2,1H3
InChIKeyPFUJCTAGBOKODL-UHFFFAOYSA-N
MW398.33 g/mol
LogP5.23
Rot. Bonds6

About 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine

4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine (PubChem CID 18620460) has the molecular formula C15H12F6N2O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine.

Molecular Properties

Compound Name4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
PubChem CID18620460
Molecular FormulaC15H12F6N2O2S
Molecular Weight398.33 g/mol
Exact Mass398.05
IUPAC Name4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
SMILESCc1cc(OCCSC(F)(F)F)nc(Oc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F6N2O2S/c1-9-6-12(24-4-5-26-15(19,20)21)23-13(7-9)25-10-2-3-22-11(8-10)14(16,17)18/h2-3,6-8H,4-5H2,1H3
InChIKeyPFUJCTAGBOKODL-UHFFFAOYSA-N
XLogP5.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.33
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(difluoromethoxy)-4-pyridinyl]oxy]-4-methoxy-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
CID 18620457
4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine
CID 54011733
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine
CID 73453968
2-[3-chloro-3-(trifluoromethylsulfanyl)prop-2-enoxy]-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 91149649
4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine
CID 167343978
4-methyl-2-[(E)-4,4,4-trifluorobut-2-enoxy]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 22572629
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(4,4,4-trifluoro-3-methylbutoxy)pyridine
CID 22572644
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)prop-1-enoxy]pyridine
CID 91023650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
The IUPAC name of 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine (CID 18620460) is 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine.
What is the SMILES notation for 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
The canonical SMILES for 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine is Cc1cc(OCCSC(F)(F)F)nc(Oc2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
The InChIKey is PFUJCTAGBOKODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N2O2S/c1-9-6-12(24-4-5-26-15(19,20)21)23-13(7-9)25-10-2-3-22-11(8-10)14(16,17)18/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine?
4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine has a molecular weight of 398.33 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]-6-[2-(trifluoromethylsulfanyl)ethoxy]pyridine is sourced from PubChem (CID 18620460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).