2-(4-fluorophenoxy)-5-methylsulfanylpyrazine

C11H9FN2OS — CID 123464657

IUPAC2-(4-fluorophenoxy)-5-methylsulfanylpyrazine
SMILESCSc1cnc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C11H9FN2OS/c1-16-11-7-13-10(6-14-11)15-9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyGYOBIWSUOBOURZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.13
Rot. Bonds3

About 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine

2-(4-fluorophenoxy)-5-methylsulfanylpyrazine (PubChem CID 123464657) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-methylsulfanylpyrazine
PubChem CID123464657
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-(4-fluorophenoxy)-5-methylsulfanylpyrazine
SMILESCSc1cnc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C11H9FN2OS/c1-16-11-7-13-10(6-14-11)15-9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyGYOBIWSUOBOURZ-UHFFFAOYSA-N
XLogP3.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine?
The IUPAC name of 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine (CID 123464657) is 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine?
The canonical SMILES for 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine is CSc1cnc(Oc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine?
The InChIKey is GYOBIWSUOBOURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-16-11-7-13-10(6-14-11)15-9-4-2-8(12)3-5-9/h2-7H,1H3.
What are the key properties of 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine?
2-(4-fluorophenoxy)-5-methylsulfanylpyrazine has a molecular weight of 236.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-methylsulfanylpyrazine is sourced from PubChem (CID 123464657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).