3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine

C11H17BrN2 — CID 63203817

IUPAC3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine
SMILESCCC(c1nc(C)cnc1C)C(C)Br
InChIInChI=1S/C11H17BrN2/c1-5-10(8(3)12)11-9(4)13-6-7(2)14-11/h6,8,10H,5H2,1-4H3
InChIKeyQXZSRKCFSPSVOF-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.37
Rot. Bonds3

About 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine

3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine (PubChem CID 63203817) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine
PubChem CID63203817
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine
SMILESCCC(c1nc(C)cnc1C)C(C)Br
InChIInChI=1S/C11H17BrN2/c1-5-10(8(3)12)11-9(4)13-6-7(2)14-11/h6,8,10H,5H2,1-4H3
InChIKeyQXZSRKCFSPSVOF-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine?
The IUPAC name of 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine (CID 63203817) is 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine is CCC(c1nc(C)cnc1C)C(C)Br.
What is the InChIKey of 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine?
The InChIKey is QXZSRKCFSPSVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-5-10(8(3)12)11-9(4)13-6-7(2)14-11/h6,8,10H,5H2,1-4H3.
What are the key properties of 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine?
3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine has a molecular weight of 257.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromopentan-3-yl)-2,5-dimethylpyrazine is sourced from PubChem (CID 63203817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).