2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine

C13H13BrN2O — CID 107724166

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine
SMILESCc1cc(Oc2nccnc2C)cc(C)c1Br
InChIInChI=1S/C13H13BrN2O/c1-8-6-11(7-9(2)12(8)14)17-13-10(3)15-4-5-16-13/h4-7H,1-3H3
InChIKeyANRXDJNRAJTHLP-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine

2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine (PubChem CID 107724166) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine
PubChem CID107724166
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine
SMILESCc1cc(Oc2nccnc2C)cc(C)c1Br
InChIInChI=1S/C13H13BrN2O/c1-8-6-11(7-9(2)12(8)14)17-13-10(3)15-4-5-16-13/h4-7H,1-3H3
InChIKeyANRXDJNRAJTHLP-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108451
(2R,3R,4S,5S)-2-[(4-bromo-3-methylphenoxy)methyl]-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556849
2-(3-Bromo-5-methylphenoxy)-5-(trifluoromethyl)pyrazine
CID 176233486
2-(3,5-Dimethylphenoxy)-5-(trifluoromethyl)pyrazine;ethane;hydroiodide
CID 176690872
2-(3,5-Dimethylphenoxy)-5-(trifluoromethyl)pyrazine
CID 176690873
2-(3-Ethyl-5-methylphenoxy)-5-(trifluoromethyl)pyrazine
CID 176690920
2-(3,5-Dimethylphenoxy)-5-(trifluoromethyl)pyrazine;ethane
CID 176690989
3-((6-Methylpyrazin-2-yl)oxy)benzonitrile
CID 74766091
3-(4-Bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 60620346
3-(2-Bromo-4-fluorophenoxy)-2,5-dimethylpyrazine
CID 60645287
5-(4-Bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 63660686
3-(4-Bromo-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 63998457

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine (CID 107724166) is 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine is Cc1cc(Oc2nccnc2C)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine?
The InChIKey is ANRXDJNRAJTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-8-6-11(7-9(2)12(8)14)17-13-10(3)15-4-5-16-13/h4-7H,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine?
2-(4-bromo-3,5-dimethylphenoxy)-3-methylpyrazine has a molecular weight of 293.16 g/mol, XLogP of 3.96, 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-methylpyrazine is sourced from PubChem (CID 107724166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).