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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Related Compounds

4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
CID 107723121
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 107727403
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
4-(4-bromo-3,5-dimethylphenoxy)-3,5-dichloroaniline
CID 107722625
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine
CID 107723136
2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
CID 107727388

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).