4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine

C20H13F6NO2S — CID 21471060

IUPAC4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
SMILESCSc1cc(Oc2cccc(C(F)(F)F)c2)nc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H13F6NO2S/c1-30-16-10-17(28-14-6-2-4-12(8-14)19(21,22)23)27-18(11-16)29-15-7-3-5-13(9-15)20(24,25)26/h2-11H,1H3
InChIKeyZVOVCKZTTAEMOR-UHFFFAOYSA-N
MW445.38 g/mol
LogP7.43
Rot. Bonds5

About 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine

4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 21471060) has the molecular formula C20H13F6NO2S and a molecular weight of 445.38 g/mol. Its IUPAC name is 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID21471060
Molecular FormulaC20H13F6NO2S
Molecular Weight445.38 g/mol
Exact Mass445.06
IUPAC Name4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
SMILESCSc1cc(Oc2cccc(C(F)(F)F)c2)nc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H13F6NO2S/c1-30-16-10-17(28-14-6-2-4-12(8-14)19(21,22)23)27-18(11-16)29-15-7-3-5-13(9-15)20(24,25)26/h2-11H,1H3
InChIKeyZVOVCKZTTAEMOR-UHFFFAOYSA-N
XLogP7.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.38
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 148921014
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
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 152556619
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[3-(trifluoromethylsulfanyl)prop-2-enoxy]pyridine
CID 73453968
4,6-bis[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
CID 4035854
4-methoxy-2-[3-(trifluoromethyl)phenoxy]-6-[1-(trifluoromethylsulfanyl)propoxy]pyridine
CID 91278381
4-methyl-2-[(E)-4,4,4-trifluorobut-2-enoxy]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 22572629
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine (CID 21471060) is 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine is CSc1cc(Oc2cccc(C(F)(F)F)c2)nc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is ZVOVCKZTTAEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO2S/c1-30-16-10-17(28-14-6-2-4-12(8-14)19(21,22)23)27-18(11-16)29-15-7-3-5-13(9-15)20(24,25)26/h2-11H,1H3.
What are the key properties of 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine?
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 445.38 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 21471060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).