3,5-dibromobenzenediazonium

C6H3Br2N2+ — CID 89421442

IUPAC3,5-dibromobenzenediazonium
SMILESN#[N+]c1cc(Br)cc(Br)c1
InChIInChI=1S/C6H3Br2N2/c7-4-1-5(8)3-6(2-4)10-9/h1-3H/q+1
InChIKeyIUUBHLHUFOWSEW-UHFFFAOYSA-N
MW262.91 g/mol
LogP3.70
Rot. Bonds

About 3,5-dibromobenzenediazonium

3,5-dibromobenzenediazonium (PubChem CID 89421442) has the molecular formula C6H3Br2N2+ and a molecular weight of 262.91 g/mol. Its IUPAC name is 3,5-dibromobenzenediazonium.

Molecular Properties

Compound Name3,5-dibromobenzenediazonium
PubChem CID89421442
Molecular FormulaC6H3Br2N2+
Molecular Weight262.91 g/mol
Exact Mass260.87
IUPAC Name3,5-dibromobenzenediazonium
SMILESN#[N+]c1cc(Br)cc(Br)c1
InChIInChI=1S/C6H3Br2N2/c7-4-1-5(8)3-6(2-4)10-9/h1-3H/q+1
InChIKeyIUUBHLHUFOWSEW-UHFFFAOYSA-N
XLogP3.70
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.91
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromobenzenediazonium?
The IUPAC name of 3,5-dibromobenzenediazonium (CID 89421442) is 3,5-dibromobenzenediazonium.
What is the SMILES notation for 3,5-dibromobenzenediazonium?
The canonical SMILES for 3,5-dibromobenzenediazonium is N#[N+]c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromobenzenediazonium?
The InChIKey is IUUBHLHUFOWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N2/c7-4-1-5(8)3-6(2-4)10-9/h1-3H/q+1.
What are the key properties of 3,5-dibromobenzenediazonium?
3,5-dibromobenzenediazonium has a molecular weight of 262.91 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromobenzenediazonium is sourced from PubChem (CID 89421442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).