chlorodiazene

HClN2 — CID 20778768

About chlorodiazene

chlorodiazene (PubChem CID 20778768) has the molecular formula HClN2 and a molecular weight of 64.47 g/mol. Its IUPAC name is chlorodiazene.

Molecular Properties

• Compound Name: chlorodiazene
• PubChem CID: 20778768
• Molecular Formula: HClN2
• Molecular Weight: 64.47 g/mol
• Exact Mass: 63.98
• IUPAC Name: chlorodiazene
• SMILES: [H]/N=N/Cl
• InChI: InChI=1S/ClHN2/c1-3-2/h2H/b3-2+
• InChIKey: CESPBGQCVDCTIW-NSCUHMNNSA-N
• XLogP: 1.17
• TPSA: 36.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 3
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	64.47
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chlorodiazene?

The IUPAC name of chlorodiazene (CID 20778768) is chlorodiazene.

What is the SMILES notation for chlorodiazene?

The canonical SMILES for chlorodiazene is [H]/N=N/Cl.

What is the InChIKey of chlorodiazene?

The InChIKey is CESPBGQCVDCTIW-NSCUHMNNSA-N. The full InChI is InChI=1S/ClHN2/c1-3-2/h2H/b3-2+.

What are the key properties of chlorodiazene?

chlorodiazene has a molecular weight of 64.47 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for chlorodiazene is sourced from PubChem (CID 20778768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).