2-bromo-6-methylpyrazine;ethane

C7H11BrN2 — CID 168939100

IUPAC2-bromo-6-methylpyrazine;ethane
SMILESCC.Cc1cncc(Br)n1
InChIInChI=1S/C5H5BrN2.C2H6/c1-4-2-7-3-5(6)8-4;1-2/h2-3H,1H3;1-2H3
InChIKeyQMGYBRWLNDCBAQ-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.57
Rot. Bonds

About 2-bromo-6-methylpyrazine;ethane

2-bromo-6-methylpyrazine;ethane (PubChem CID 168939100) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 2-bromo-6-methylpyrazine;ethane.

Molecular Properties

Compound Name2-bromo-6-methylpyrazine;ethane
PubChem CID168939100
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name2-bromo-6-methylpyrazine;ethane
SMILESCC.Cc1cncc(Br)n1
InChIInChI=1S/C5H5BrN2.C2H6/c1-4-2-7-3-5(6)8-4;1-2/h2-3H,1H3;1-2H3
InChIKeyQMGYBRWLNDCBAQ-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyrazine;ethane?
The IUPAC name of 2-bromo-6-methylpyrazine;ethane (CID 168939100) is 2-bromo-6-methylpyrazine;ethane.
What is the SMILES notation for 2-bromo-6-methylpyrazine;ethane?
The canonical SMILES for 2-bromo-6-methylpyrazine;ethane is CC.Cc1cncc(Br)n1.
What is the InChIKey of 2-bromo-6-methylpyrazine;ethane?
The InChIKey is QMGYBRWLNDCBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2.C2H6/c1-4-2-7-3-5(6)8-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 2-bromo-6-methylpyrazine;ethane?
2-bromo-6-methylpyrazine;ethane has a molecular weight of 203.08 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyrazine;ethane is sourced from PubChem (CID 168939100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).