3-bromobenzenediazonium

C6H4BrN2+ — CID 10376150

IUPAC3-bromobenzenediazonium
SMILESN#[N+]c1cccc(Br)c1
InChIInChI=1S/C6H4BrN2/c7-5-2-1-3-6(4-5)9-8/h1-4H/q+1
InChIKeyPTRYCJFUVWXEPB-UHFFFAOYSA-N
MW184.02 g/mol
LogP2.93
Rot. Bonds

About 3-bromobenzenediazonium

3-bromobenzenediazonium (PubChem CID 10376150) has the molecular formula C6H4BrN2+ and a molecular weight of 184.02 g/mol. Its IUPAC name is 3-bromobenzenediazonium.

Molecular Properties

Compound Name3-bromobenzenediazonium
PubChem CID10376150
Molecular FormulaC6H4BrN2+
Molecular Weight184.02 g/mol
Exact Mass182.96
IUPAC Name3-bromobenzenediazonium
SMILESN#[N+]c1cccc(Br)c1
InChIInChI=1S/C6H4BrN2/c7-5-2-1-3-6(4-5)9-8/h1-4H/q+1
InChIKeyPTRYCJFUVWXEPB-UHFFFAOYSA-N
XLogP2.93
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromobenzenediazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzenediazonium?
The IUPAC name of 3-bromobenzenediazonium (CID 10376150) is 3-bromobenzenediazonium.
What is the SMILES notation for 3-bromobenzenediazonium?
The canonical SMILES for 3-bromobenzenediazonium is N#[N+]c1cccc(Br)c1.
What is the InChIKey of 3-bromobenzenediazonium?
The InChIKey is PTRYCJFUVWXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN2/c7-5-2-1-3-6(4-5)9-8/h1-4H/q+1.
What are the key properties of 3-bromobenzenediazonium?
3-bromobenzenediazonium has a molecular weight of 184.02 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzenediazonium is sourced from PubChem (CID 10376150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).