2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine

C15H14F4N2OS — CID 137470142

IUPAC2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine
SMILESCCSc1cccnc1-c1ccc(COC(F)(F)C(F)F)cn1
InChIInChI=1S/C15H14F4N2OS/c1-2-23-12-4-3-7-20-13(12)11-6-5-10(8-21-11)9-22-15(18,19)14(16)17/h3-8,14H,2,9H2,1H3
InChIKeyYUXXEGFPLVKTRV-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.63
Rot. Bonds7

About 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine

2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine (PubChem CID 137470142) has the molecular formula C15H14F4N2OS and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine
PubChem CID137470142
Molecular FormulaC15H14F4N2OS
Molecular Weight346.35 g/mol
Exact Mass346.08
IUPAC Name2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine
SMILESCCSc1cccnc1-c1ccc(COC(F)(F)C(F)F)cn1
InChIInChI=1S/C15H14F4N2OS/c1-2-23-12-4-3-7-20-13(12)11-6-5-10(8-21-11)9-22-15(18,19)14(16)17/h3-8,14H,2,9H2,1H3
InChIKeyYUXXEGFPLVKTRV-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine?
The IUPAC name of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine (CID 137470142) is 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine.
What is the SMILES notation for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine?
The canonical SMILES for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine is CCSc1cccnc1-c1ccc(COC(F)(F)C(F)F)cn1.
What is the InChIKey of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine?
The InChIKey is YUXXEGFPLVKTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2OS/c1-2-23-12-4-3-7-20-13(12)11-6-5-10(8-21-11)9-22-15(18,19)14(16)17/h3-8,14H,2,9H2,1H3.
What are the key properties of 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine?
2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine has a molecular weight of 346.35 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanyl-2-pyridinyl)-5-(1,1,2,2-tetrafluoroethoxymethyl)pyridine is sourced from PubChem (CID 137470142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).