2-bromo-3,5-dimethylpyrazine

C6H7BrN2 — CID 13319705

IUPAC2-bromo-3,5-dimethylpyrazine
SMILESCc1cnc(Br)c(C)n1
InChIInChI=1S/C6H7BrN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
InChIKeyAGCIADOQTBDMMP-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.86
Rot. Bonds

About 2-bromo-3,5-dimethylpyrazine

2-bromo-3,5-dimethylpyrazine (PubChem CID 13319705) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 2-bromo-3,5-dimethylpyrazine.

Molecular Properties

Compound Name2-bromo-3,5-dimethylpyrazine
PubChem CID13319705
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name2-bromo-3,5-dimethylpyrazine
SMILESCc1cnc(Br)c(C)n1
InChIInChI=1S/C6H7BrN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
InChIKeyAGCIADOQTBDMMP-UHFFFAOYSA-N
XLogP1.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-dimethylpyrazine?
The IUPAC name of 2-bromo-3,5-dimethylpyrazine (CID 13319705) is 2-bromo-3,5-dimethylpyrazine.
What is the SMILES notation for 2-bromo-3,5-dimethylpyrazine?
The canonical SMILES for 2-bromo-3,5-dimethylpyrazine is Cc1cnc(Br)c(C)n1.
What is the InChIKey of 2-bromo-3,5-dimethylpyrazine?
The InChIKey is AGCIADOQTBDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3.
What are the key properties of 2-bromo-3,5-dimethylpyrazine?
2-bromo-3,5-dimethylpyrazine has a molecular weight of 187.04 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-dimethylpyrazine is sourced from PubChem (CID 13319705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).