3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine

C18H13F3N2OS — CID 135235810

IUPAC3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
SMILESCSc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H13F3N2OS/c1-25-15-7-3-2-5-13(15)14-6-4-10-22-17(14)24-12-8-9-16(23-11-12)18(19,20)21/h2-11H,1H3
InChIKeyJDTOHHYOPDZDNB-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.68
Rot. Bonds4

About 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine

3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine (PubChem CID 135235810) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
PubChem CID135235810
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
SMILESCSc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H13F3N2OS/c1-25-15-7-3-2-5-13(15)14-6-4-10-22-17(14)24-12-8-9-16(23-11-12)18(19,20)21/h2-11H,1H3
InChIKeyJDTOHHYOPDZDNB-UHFFFAOYSA-N
XLogP5.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The IUPAC name of 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine (CID 135235810) is 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine.
What is the SMILES notation for 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The canonical SMILES for 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine is CSc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
The InChIKey is JDTOHHYOPDZDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c1-25-15-7-3-2-5-13(15)14-6-4-10-22-17(14)24-12-8-9-16(23-11-12)18(19,20)21/h2-11H,1H3.
What are the key properties of 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine?
3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine has a molecular weight of 362.38 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine is sourced from PubChem (CID 135235810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).