2-(3-bromocyclopentyl)pyrazine

C9H11BrN2 — CID 64507366

IUPAC2-(3-bromocyclopentyl)pyrazine
SMILESBrC1CCC(c2cnccn2)C1
InChIInChI=1S/C9H11BrN2/c10-8-2-1-7(5-8)9-6-11-3-4-12-9/h3-4,6-8H,1-2,5H2
InChIKeySGHRZAAKRWZTNZ-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.51
Rot. Bonds1

About 2-(3-bromocyclopentyl)pyrazine

2-(3-bromocyclopentyl)pyrazine (PubChem CID 64507366) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-(3-bromocyclopentyl)pyrazine.

Molecular Properties

Compound Name2-(3-bromocyclopentyl)pyrazine
PubChem CID64507366
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name2-(3-bromocyclopentyl)pyrazine
SMILESBrC1CCC(c2cnccn2)C1
InChIInChI=1S/C9H11BrN2/c10-8-2-1-7(5-8)9-6-11-3-4-12-9/h3-4,6-8H,1-2,5H2
InChIKeySGHRZAAKRWZTNZ-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.51
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 2-(3-bromocyclopentyl)pyrazine?
The IUPAC name of 2-(3-bromocyclopentyl)pyrazine (CID 64507366) is 2-(3-bromocyclopentyl)pyrazine.
What is the SMILES notation for 2-(3-bromocyclopentyl)pyrazine?
The canonical SMILES for 2-(3-bromocyclopentyl)pyrazine is BrC1CCC(c2cnccn2)C1.
What is the InChIKey of 2-(3-bromocyclopentyl)pyrazine?
The InChIKey is SGHRZAAKRWZTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-8-2-1-7(5-8)9-6-11-3-4-12-9/h3-4,6-8H,1-2,5H2.
What are the key properties of 2-(3-bromocyclopentyl)pyrazine?
2-(3-bromocyclopentyl)pyrazine has a molecular weight of 227.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromocyclopentyl)pyrazine is sourced from PubChem (CID 64507366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).