2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine

C17H10F4N2OS — CID 146289378

IUPAC2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine
SMILESFc1ccc(Sc2ncccc2Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H10F4N2OS/c18-12-4-6-13(7-5-12)25-16-14(2-1-9-22-16)24-15-8-3-11(10-23-15)17(19,20)21/h1-10H
InChIKeyXQIRUNUVIMAZBC-UHFFFAOYSA-N
MW366.34 g/mol
LogP5.58
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine

2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine (PubChem CID 146289378) has the molecular formula C17H10F4N2OS and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine
PubChem CID146289378
Molecular FormulaC17H10F4N2OS
Molecular Weight366.34 g/mol
Exact Mass366.04
IUPAC Name2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine
SMILESFc1ccc(Sc2ncccc2Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H10F4N2OS/c18-12-4-6-13(7-5-12)25-16-14(2-1-9-22-16)24-15-8-3-11(10-23-15)17(19,20)21/h1-10H
InChIKeyXQIRUNUVIMAZBC-UHFFFAOYSA-N
XLogP5.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine (CID 146289378) is 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine is Fc1ccc(Sc2ncccc2Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine?
The InChIKey is XQIRUNUVIMAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2OS/c18-12-4-6-13(7-5-12)25-16-14(2-1-9-22-16)24-15-8-3-11(10-23-15)17(19,20)21/h1-10H.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine?
2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine has a molecular weight of 366.34 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine is sourced from PubChem (CID 146289378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).