2-bromo-6-methylsulfonylpyrazine

C5H5BrN2O2S — CID 162523357

IUPAC2-bromo-6-methylsulfonylpyrazine
SMILESCS(=O)(=O)c1cncc(Br)n1
InChIInChI=1S/C5H5BrN2O2S/c1-11(9,10)5-3-7-2-4(6)8-5/h2-3H,1H3
InChIKeyKCOGJPKDOPUIRR-UHFFFAOYSA-N
MW237.08 g/mol
LogP0.64
Rot. Bonds1

About 2-bromo-6-methylsulfonylpyrazine

2-bromo-6-methylsulfonylpyrazine (PubChem CID 162523357) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 2-bromo-6-methylsulfonylpyrazine.

Molecular Properties

Compound Name2-bromo-6-methylsulfonylpyrazine
PubChem CID162523357
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name2-bromo-6-methylsulfonylpyrazine
SMILESCS(=O)(=O)c1cncc(Br)n1
InChIInChI=1S/C5H5BrN2O2S/c1-11(9,10)5-3-7-2-4(6)8-5/h2-3H,1H3
InChIKeyKCOGJPKDOPUIRR-UHFFFAOYSA-N
XLogP0.64
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylsulfonylpyrazine?
The IUPAC name of 2-bromo-6-methylsulfonylpyrazine (CID 162523357) is 2-bromo-6-methylsulfonylpyrazine.
What is the SMILES notation for 2-bromo-6-methylsulfonylpyrazine?
The canonical SMILES for 2-bromo-6-methylsulfonylpyrazine is CS(=O)(=O)c1cncc(Br)n1.
What is the InChIKey of 2-bromo-6-methylsulfonylpyrazine?
The InChIKey is KCOGJPKDOPUIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-3-7-2-4(6)8-5/h2-3H,1H3.
What are the key properties of 2-bromo-6-methylsulfonylpyrazine?
2-bromo-6-methylsulfonylpyrazine has a molecular weight of 237.08 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylsulfonylpyrazine is sourced from PubChem (CID 162523357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).