2-(4-bromo-3,5-dimethylphenyl)pyrazine

C12H11BrN2 — CID 86697321

IUPAC2-(4-bromo-3,5-dimethylphenyl)pyrazine
SMILESCc1cc(-c2cnccn2)cc(C)c1Br
InChIInChI=1S/C12H11BrN2/c1-8-5-10(6-9(2)12(8)13)11-7-14-3-4-15-11/h3-7H,1-2H3
InChIKeyDDHWQTXHDRNFPX-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.52
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylphenyl)pyrazine

2-(4-bromo-3,5-dimethylphenyl)pyrazine (PubChem CID 86697321) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)pyrazine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)pyrazine
PubChem CID86697321
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)pyrazine
SMILESCc1cc(-c2cnccn2)cc(C)c1Br
InChIInChI=1S/C12H11BrN2/c1-8-5-10(6-9(2)12(8)13)11-7-14-3-4-15-11/h3-7H,1-2H3
InChIKeyDDHWQTXHDRNFPX-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)pyrazine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)pyrazine (CID 86697321) is 2-(4-bromo-3,5-dimethylphenyl)pyrazine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)pyrazine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)pyrazine is Cc1cc(-c2cnccn2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)pyrazine?
The InChIKey is DDHWQTXHDRNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-8-5-10(6-9(2)12(8)13)11-7-14-3-4-15-11/h3-7H,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)pyrazine?
2-(4-bromo-3,5-dimethylphenyl)pyrazine has a molecular weight of 263.14 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenyl)pyrazine is sourced from PubChem (CID 86697321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).