2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine

C14H14BrClN2O — CID 107723105

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine
SMILESCc1cc(Oc2nc(C)c(C)nc2Cl)cc(C)c1Br
InChIInChI=1S/C14H14BrClN2O/c1-7-5-11(6-8(2)12(7)15)19-14-13(16)17-9(3)10(4)18-14/h5-6H,1-4H3
InChIKeyJLLMETFWYIQLAJ-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.92
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine

2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine (PubChem CID 107723105) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine
PubChem CID107723105
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine
SMILESCc1cc(Oc2nc(C)c(C)nc2Cl)cc(C)c1Br
InChIInChI=1S/C14H14BrClN2O/c1-7-5-11(6-8(2)12(7)15)19-14-13(16)17-9(3)10(4)18-14/h5-6H,1-4H3
InChIKeyJLLMETFWYIQLAJ-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine (CID 107723105) is 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine is Cc1cc(Oc2nc(C)c(C)nc2Cl)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine?
The InChIKey is JLLMETFWYIQLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-7-5-11(6-8(2)12(7)15)19-14-13(16)17-9(3)10(4)18-14/h5-6H,1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine?
2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine has a molecular weight of 341.64 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine is sourced from PubChem (CID 107723105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).