2-(2-bromo-3-methylbutyl)-3-methylpyrazine

C10H15BrN2 — CID 83063663

IUPAC2-(2-bromo-3-methylbutyl)-3-methylpyrazine
SMILESCc1nccnc1CC(Br)C(C)C
InChIInChI=1S/C10H15BrN2/c1-7(2)9(11)6-10-8(3)12-4-5-13-10/h4-5,7,9H,6H2,1-3H3
InChIKeyCMZABJGMZLGYPM-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-bromo-3-methylbutyl)-3-methylpyrazine

2-(2-bromo-3-methylbutyl)-3-methylpyrazine (PubChem CID 83063663) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-(2-bromo-3-methylbutyl)-3-methylpyrazine.

Molecular Properties

Compound Name2-(2-bromo-3-methylbutyl)-3-methylpyrazine
PubChem CID83063663
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-(2-bromo-3-methylbutyl)-3-methylpyrazine
SMILESCc1nccnc1CC(Br)C(C)C
InChIInChI=1S/C10H15BrN2/c1-7(2)9(11)6-10-8(3)12-4-5-13-10/h4-5,7,9H,6H2,1-3H3
InChIKeyCMZABJGMZLGYPM-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-bromo-3-methylbutyl)-3-methylpyrazine 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 2-(2-bromo-3-methylbutyl)-3-methylpyrazine?
The IUPAC name of 2-(2-bromo-3-methylbutyl)-3-methylpyrazine (CID 83063663) is 2-(2-bromo-3-methylbutyl)-3-methylpyrazine.
What is the SMILES notation for 2-(2-bromo-3-methylbutyl)-3-methylpyrazine?
The canonical SMILES for 2-(2-bromo-3-methylbutyl)-3-methylpyrazine is Cc1nccnc1CC(Br)C(C)C.
What is the InChIKey of 2-(2-bromo-3-methylbutyl)-3-methylpyrazine?
The InChIKey is CMZABJGMZLGYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-7(2)9(11)6-10-8(3)12-4-5-13-10/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 2-(2-bromo-3-methylbutyl)-3-methylpyrazine?
2-(2-bromo-3-methylbutyl)-3-methylpyrazine has a molecular weight of 243.15 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylbutyl)-3-methylpyrazine is sourced from PubChem (CID 83063663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).