3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine

C11H16BrN3 — CID 80680091

IUPAC3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCC(CBr)C2)n1
InChIInChI=1S/C11H16BrN3/c1-8-6-13-9(2)11(14-8)15-4-3-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyZRCAFCMBGKHSLG-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.31
Rot. Bonds2

About 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine

3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine (PubChem CID 80680091) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
PubChem CID80680091
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCC(CBr)C2)n1
InChIInChI=1S/C11H16BrN3/c1-8-6-13-9(2)11(14-8)15-4-3-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyZRCAFCMBGKHSLG-UHFFFAOYSA-N
XLogP2.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine (CID 80680091) is 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCC(CBr)C2)n1.
What is the InChIKey of 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is ZRCAFCMBGKHSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-6-13-9(2)11(14-8)15-4-3-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine?
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 270.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 80680091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).