2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine

C10H14FNOS — CID 139359835

IUPAC2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine
SMILESCCOCCc1cc(SC)c(F)cn1
InChIInChI=1S/C10H14FNOS/c1-3-13-5-4-8-6-10(14-2)9(11)7-12-8/h6-7H,3-5H2,1-2H3
InChIKeyMCYTYNYGWINNAM-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.52
Rot. Bonds5

About 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine

2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine (PubChem CID 139359835) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine
PubChem CID139359835
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine
SMILESCCOCCc1cc(SC)c(F)cn1
InChIInChI=1S/C10H14FNOS/c1-3-13-5-4-8-6-10(14-2)9(11)7-12-8/h6-7H,3-5H2,1-2H3
InChIKeyMCYTYNYGWINNAM-UHFFFAOYSA-N
XLogP2.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine?
The IUPAC name of 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine (CID 139359835) is 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine?
The canonical SMILES for 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine is CCOCCc1cc(SC)c(F)cn1.
What is the InChIKey of 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine?
The InChIKey is MCYTYNYGWINNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-3-13-5-4-8-6-10(14-2)9(11)7-12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine?
2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine has a molecular weight of 215.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-fluoro-4-methylsulfanylpyridine is sourced from PubChem (CID 139359835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).