2-bromo-5-(trifluoromethylsulfinyl)pyrazine

C5H2BrF3N2OS — CID 75529913

IUPAC2-bromo-5-(trifluoromethylsulfinyl)pyrazine
SMILESO=S(c1cnc(Br)cn1)C(F)(F)F
InChIInChI=1S/C5H2BrF3N2OS/c6-3-1-11-4(2-10-3)13(12)5(7,8)9/h1-2H
InChIKeyQUKJHZXIOXMTON-UHFFFAOYSA-N
MW275.05 g/mol
LogP1.87
Rot. Bonds1

About 2-bromo-5-(trifluoromethylsulfinyl)pyrazine

2-bromo-5-(trifluoromethylsulfinyl)pyrazine (PubChem CID 75529913) has the molecular formula C5H2BrF3N2OS and a molecular weight of 275.05 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethylsulfinyl)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethylsulfinyl)pyrazine
PubChem CID75529913
Molecular FormulaC5H2BrF3N2OS
Molecular Weight275.05 g/mol
Exact Mass273.90
IUPAC Name2-bromo-5-(trifluoromethylsulfinyl)pyrazine
SMILESO=S(c1cnc(Br)cn1)C(F)(F)F
InChIInChI=1S/C5H2BrF3N2OS/c6-3-1-11-4(2-10-3)13(12)5(7,8)9/h1-2H
InChIKeyQUKJHZXIOXMTON-UHFFFAOYSA-N
XLogP1.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethylsulfinyl)pyrazine?
The IUPAC name of 2-bromo-5-(trifluoromethylsulfinyl)pyrazine (CID 75529913) is 2-bromo-5-(trifluoromethylsulfinyl)pyrazine.
What is the SMILES notation for 2-bromo-5-(trifluoromethylsulfinyl)pyrazine?
The canonical SMILES for 2-bromo-5-(trifluoromethylsulfinyl)pyrazine is O=S(c1cnc(Br)cn1)C(F)(F)F.
What is the InChIKey of 2-bromo-5-(trifluoromethylsulfinyl)pyrazine?
The InChIKey is QUKJHZXIOXMTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2OS/c6-3-1-11-4(2-10-3)13(12)5(7,8)9/h1-2H.
What are the key properties of 2-bromo-5-(trifluoromethylsulfinyl)pyrazine?
2-bromo-5-(trifluoromethylsulfinyl)pyrazine has a molecular weight of 275.05 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethylsulfinyl)pyrazine is sourced from PubChem (CID 75529913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).