(4-chlorophenyl)-ethyldiazene

C8H9ClN2 — CID 54169183

IUPAC(4-chlorophenyl)-ethyldiazene
SMILESCC/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2/c1-2-10-11-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/b11-10+
InChIKeyOTUUKPCKCWUCJB-ZHACJKMWSA-N
MW168.63 g/mol
LogP3.44
Rot. Bonds2

About (4-chlorophenyl)-ethyldiazene

(4-chlorophenyl)-ethyldiazene (PubChem CID 54169183) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is (4-chlorophenyl)-ethyldiazene.

Molecular Properties

Compound Name(4-chlorophenyl)-ethyldiazene
PubChem CID54169183
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name(4-chlorophenyl)-ethyldiazene
SMILESCC/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2/c1-2-10-11-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/b11-10+
InChIKeyOTUUKPCKCWUCJB-ZHACJKMWSA-N
XLogP3.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 53.44
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 (4-chlorophenyl)-ethyldiazene 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 (4-chlorophenyl)-ethyldiazene?
The IUPAC name of (4-chlorophenyl)-ethyldiazene (CID 54169183) is (4-chlorophenyl)-ethyldiazene.
What is the SMILES notation for (4-chlorophenyl)-ethyldiazene?
The canonical SMILES for (4-chlorophenyl)-ethyldiazene is CC/N=N/c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-ethyldiazene?
The InChIKey is OTUUKPCKCWUCJB-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-2-10-11-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/b11-10+.
What are the key properties of (4-chlorophenyl)-ethyldiazene?
(4-chlorophenyl)-ethyldiazene has a molecular weight of 168.63 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-ethyldiazene is sourced from PubChem (CID 54169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).