2-(bromomethyl)-6-chloropyrazine

C5H4BrClN2 — CID 58579451

IUPAC2-(bromomethyl)-6-chloropyrazine
SMILESClc1cncc(CBr)n1
InChIInChI=1S/C5H4BrClN2/c6-1-4-2-8-3-5(7)9-4/h2-3H,1H2
InChIKeyDCUJDNLZURQRTI-UHFFFAOYSA-N
MW207.46 g/mol
LogP2.02
Rot. Bonds1

About 2-(bromomethyl)-6-chloropyrazine

2-(bromomethyl)-6-chloropyrazine (PubChem CID 58579451) has the molecular formula C5H4BrClN2 and a molecular weight of 207.46 g/mol. Its IUPAC name is 2-(bromomethyl)-6-chloropyrazine.

Molecular Properties

Compound Name2-(bromomethyl)-6-chloropyrazine
PubChem CID58579451
Molecular FormulaC5H4BrClN2
Molecular Weight207.46 g/mol
Exact Mass205.92
IUPAC Name2-(bromomethyl)-6-chloropyrazine
SMILESClc1cncc(CBr)n1
InChIInChI=1S/C5H4BrClN2/c6-1-4-2-8-3-5(7)9-4/h2-3H,1H2
InChIKeyDCUJDNLZURQRTI-UHFFFAOYSA-N
XLogP2.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.46
LogP ≤ 52.02
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-(bromomethyl)-6-chloropyrazine?
The IUPAC name of 2-(bromomethyl)-6-chloropyrazine (CID 58579451) is 2-(bromomethyl)-6-chloropyrazine.
What is the SMILES notation for 2-(bromomethyl)-6-chloropyrazine?
The canonical SMILES for 2-(bromomethyl)-6-chloropyrazine is Clc1cncc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-6-chloropyrazine?
The InChIKey is DCUJDNLZURQRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2/c6-1-4-2-8-3-5(7)9-4/h2-3H,1H2.
What are the key properties of 2-(bromomethyl)-6-chloropyrazine?
2-(bromomethyl)-6-chloropyrazine has a molecular weight of 207.46 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-chloropyrazine is sourced from PubChem (CID 58579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).