2-bromo-5-butan-2-ylpyrazine

C8H11BrN2 — CID 91862993

IUPAC2-bromo-5-butan-2-ylpyrazine
SMILESCCC(C)c1cnc(Br)cn1
InChIInChI=1S/C8H11BrN2/c1-3-6(2)7-4-11-8(9)5-10-7/h4-6H,3H2,1-2H3
InChIKeyYVIUMZBVZABDCR-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.75
Rot. Bonds2

About 2-bromo-5-butan-2-ylpyrazine

2-bromo-5-butan-2-ylpyrazine (PubChem CID 91862993) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-bromo-5-butan-2-ylpyrazine.

Molecular Properties

Compound Name2-bromo-5-butan-2-ylpyrazine
PubChem CID91862993
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name2-bromo-5-butan-2-ylpyrazine
SMILESCCC(C)c1cnc(Br)cn1
InChIInChI=1S/C8H11BrN2/c1-3-6(2)7-4-11-8(9)5-10-7/h4-6H,3H2,1-2H3
InChIKeyYVIUMZBVZABDCR-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-butan-2-ylpyrazine?
The IUPAC name of 2-bromo-5-butan-2-ylpyrazine (CID 91862993) is 2-bromo-5-butan-2-ylpyrazine.
What is the SMILES notation for 2-bromo-5-butan-2-ylpyrazine?
The canonical SMILES for 2-bromo-5-butan-2-ylpyrazine is CCC(C)c1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-butan-2-ylpyrazine?
The InChIKey is YVIUMZBVZABDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-3-6(2)7-4-11-8(9)5-10-7/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-5-butan-2-ylpyrazine?
2-bromo-5-butan-2-ylpyrazine has a molecular weight of 215.09 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-butan-2-ylpyrazine is sourced from PubChem (CID 91862993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).