2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine

C12H10ClFN2O2S — CID 146526939

IUPAC2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine
SMILESCSOCc1cnc(Oc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C12H10ClFN2O2S/c1-19-17-7-9-5-16-12(6-15-9)18-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3
InChIKeyYFSUDHFIEOHJPV-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine

2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine (PubChem CID 146526939) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine
PubChem CID146526939
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine
SMILESCSOCc1cnc(Oc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C12H10ClFN2O2S/c1-19-17-7-9-5-16-12(6-15-9)18-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3
InChIKeyYFSUDHFIEOHJPV-UHFFFAOYSA-N
XLogP3.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine?
The IUPAC name of 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine (CID 146526939) is 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine?
The canonical SMILES for 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine is CSOCc1cnc(Oc2ccc(Cl)cc2F)cn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine?
The InChIKey is YFSUDHFIEOHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-19-17-7-9-5-16-12(6-15-9)18-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine?
2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine has a molecular weight of 300.74 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine is sourced from PubChem (CID 146526939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).