2-(4-bromo-3-methylphenoxy)-3-methylpyrazine

C12H11BrN2O — CID 83140443

IUPAC2-(4-bromo-3-methylphenoxy)-3-methylpyrazine
SMILESCc1cc(Oc2nccnc2C)ccc1Br
InChIInChI=1S/C12H11BrN2O/c1-8-7-10(3-4-11(8)13)16-12-9(2)14-5-6-15-12/h3-7H,1-2H3
InChIKeyZGFHASQXQBJRHR-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine

2-(4-bromo-3-methylphenoxy)-3-methylpyrazine (PubChem CID 83140443) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-3-methylpyrazine
PubChem CID83140443
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(4-bromo-3-methylphenoxy)-3-methylpyrazine
SMILESCc1cc(Oc2nccnc2C)ccc1Br
InChIInChI=1S/C12H11BrN2O/c1-8-7-10(3-4-11(8)13)16-12-9(2)14-5-6-15-12/h3-7H,1-2H3
InChIKeyZGFHASQXQBJRHR-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine (CID 83140443) is 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine is Cc1cc(Oc2nccnc2C)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine?
The InChIKey is ZGFHASQXQBJRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-7-10(3-4-11(8)13)16-12-9(2)14-5-6-15-12/h3-7H,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine?
2-(4-bromo-3-methylphenoxy)-3-methylpyrazine has a molecular weight of 279.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-3-methylpyrazine is sourced from PubChem (CID 83140443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).