3,5-dibromopyrazin-2-olate

C4HBr2N2O- — CID 51426326

IUPAC3,5-dibromopyrazin-2-olate
SMILES[O-]c1ncc(Br)nc1Br
InChIInChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)/p-1
InChIKeyNHVGHXUOFWEOSN-UHFFFAOYSA-M
MW252.87 g/mol
LogP1.08
Rot. Bonds

About 3,5-dibromopyrazin-2-olate

3,5-dibromopyrazin-2-olate (PubChem CID 51426326) has the molecular formula C4HBr2N2O- and a molecular weight of 252.87 g/mol. Its IUPAC name is 3,5-dibromopyrazin-2-olate.

Molecular Properties

Compound Name3,5-dibromopyrazin-2-olate
PubChem CID51426326
Molecular FormulaC4HBr2N2O-
Molecular Weight252.87 g/mol
Exact Mass250.85
IUPAC Name3,5-dibromopyrazin-2-olate
SMILES[O-]c1ncc(Br)nc1Br
InChIInChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)/p-1
InChIKeyNHVGHXUOFWEOSN-UHFFFAOYSA-M
XLogP1.08
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.87
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromopyrazin-2-olate?
The IUPAC name of 3,5-dibromopyrazin-2-olate (CID 51426326) is 3,5-dibromopyrazin-2-olate.
What is the SMILES notation for 3,5-dibromopyrazin-2-olate?
The canonical SMILES for 3,5-dibromopyrazin-2-olate is [O-]c1ncc(Br)nc1Br.
What is the InChIKey of 3,5-dibromopyrazin-2-olate?
The InChIKey is NHVGHXUOFWEOSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)/p-1.
What are the key properties of 3,5-dibromopyrazin-2-olate?
3,5-dibromopyrazin-2-olate has a molecular weight of 252.87 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromopyrazin-2-olate is sourced from PubChem (CID 51426326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).