2-ethoxy-3-(trifluoromethylsulfanyl)pyridine

C8H8F3NOS — CID 133057907

IUPAC2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
SMILESCCOc1ncccc1SC(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-2-13-7-6(4-3-5-12-7)14-8(9,10)11/h3-5H,2H2,1H3
InChIKeyCKPQZYRUXVCBPH-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.09
Rot. Bonds3

About 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine

2-ethoxy-3-(trifluoromethylsulfanyl)pyridine (PubChem CID 133057907) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
PubChem CID133057907
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
SMILESCCOc1ncccc1SC(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-2-13-7-6(4-3-5-12-7)14-8(9,10)11/h3-5H,2H2,1H3
InChIKeyCKPQZYRUXVCBPH-UHFFFAOYSA-N
XLogP3.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine (CID 133057907) is 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine is CCOc1ncccc1SC(F)(F)F.
What is the InChIKey of 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine?
The InChIKey is CKPQZYRUXVCBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-2-13-7-6(4-3-5-12-7)14-8(9,10)11/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine?
2-ethoxy-3-(trifluoromethylsulfanyl)pyridine has a molecular weight of 223.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 133057907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).