3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine

C11H15NO4S — CID 146412250

IUPAC3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine
SMILESCCOc1cc(/C=C\S(C)(=O)=O)cnc1OC
InChIInChI=1S/C11H15NO4S/c1-4-16-10-7-9(5-6-17(3,13)14)8-12-11(10)15-2/h5-8H,4H2,1-3H3/b6-5-
InChIKeyUYQASCUDVANARX-WAYWQWQTSA-N
MW257.31 g/mol
LogP1.50
Rot. Bonds5

About 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine

3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine (PubChem CID 146412250) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine
PubChem CID146412250
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine
SMILESCCOc1cc(/C=C\S(C)(=O)=O)cnc1OC
InChIInChI=1S/C11H15NO4S/c1-4-16-10-7-9(5-6-17(3,13)14)8-12-11(10)15-2/h5-8H,4H2,1-3H3/b6-5-
InChIKeyUYQASCUDVANARX-WAYWQWQTSA-N
XLogP1.50
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine?
The IUPAC name of 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine (CID 146412250) is 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine.
What is the SMILES notation for 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine?
The canonical SMILES for 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine is CCOc1cc(/C=C\S(C)(=O)=O)cnc1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine?
The InChIKey is UYQASCUDVANARX-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-16-10-7-9(5-6-17(3,13)14)8-12-11(10)15-2/h5-8H,4H2,1-3H3/b6-5-.
What are the key properties of 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine?
3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine has a molecular weight of 257.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-5-[(Z)-2-methylsulfonylethenyl]pyridine is sourced from PubChem (CID 146412250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).