(3-bromophenyl)-propyldiazene

C9H11BrN2 — CID 90937764

IUPAC(3-bromophenyl)-propyldiazene
SMILESCCC/N=N/c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2/c1-2-6-11-12-9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3/b12-11+
InChIKeyMNQWGLKRVCYHPU-VAWYXSNFSA-N
MW227.11 g/mol
LogP3.94
Rot. Bonds3

About (3-bromophenyl)-propyldiazene

(3-bromophenyl)-propyldiazene (PubChem CID 90937764) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is (3-bromophenyl)-propyldiazene.

Molecular Properties

Compound Name(3-bromophenyl)-propyldiazene
PubChem CID90937764
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC Name(3-bromophenyl)-propyldiazene
SMILESCCC/N=N/c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2/c1-2-6-11-12-9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3/b12-11+
InChIKeyMNQWGLKRVCYHPU-VAWYXSNFSA-N
XLogP3.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (3-bromophenyl)-propyldiazene 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-bromophenyl)-propyldiazene?
The IUPAC name of (3-bromophenyl)-propyldiazene (CID 90937764) is (3-bromophenyl)-propyldiazene.
What is the SMILES notation for (3-bromophenyl)-propyldiazene?
The canonical SMILES for (3-bromophenyl)-propyldiazene is CCC/N=N/c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-propyldiazene?
The InChIKey is MNQWGLKRVCYHPU-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-2-6-11-12-9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3/b12-11+.
What are the key properties of (3-bromophenyl)-propyldiazene?
(3-bromophenyl)-propyldiazene has a molecular weight of 227.11 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-propyldiazene is sourced from PubChem (CID 90937764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).