5-bromo-2,3-dimethylpyrazine

C6H7BrN2 — CID 53411135

IUPAC5-bromo-2,3-dimethylpyrazine
SMILESCc1ncc(Br)nc1C
InChIInChI=1S/C6H7BrN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
InChIKeyLACACUPDGFABKK-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.86
Rot. Bonds

About 5-bromo-2,3-dimethylpyrazine

5-bromo-2,3-dimethylpyrazine (PubChem CID 53411135) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 5-bromo-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-bromo-2,3-dimethylpyrazine
PubChem CID53411135
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name5-bromo-2,3-dimethylpyrazine
SMILESCc1ncc(Br)nc1C
InChIInChI=1S/C6H7BrN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
InChIKeyLACACUPDGFABKK-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

Analyze 5-bromo-2,3-dimethylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethylpyrazine?
The IUPAC name of 5-bromo-2,3-dimethylpyrazine (CID 53411135) is 5-bromo-2,3-dimethylpyrazine.
What is the SMILES notation for 5-bromo-2,3-dimethylpyrazine?
The canonical SMILES for 5-bromo-2,3-dimethylpyrazine is Cc1ncc(Br)nc1C.
What is the InChIKey of 5-bromo-2,3-dimethylpyrazine?
The InChIKey is LACACUPDGFABKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethylpyrazine?
5-bromo-2,3-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 5-bromo-2,3-dimethylpyrazine is sourced from PubChem (CID 53411135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).