2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride

C6H7Cl2N3O2 — CID 175060859

IUPAC2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride
SMILESCl.Clc1cc2ccc1-2.NN[N+](=O)[O-]
InChIInChI=1S/C6H3Cl.ClH.H3N3O2/c7-6-3-4-1-2-5(4)6;;1-2-3(4)5/h1-3H;1H;2H,1H2
InChIKeyGTYXZCHAAXOJKC-UHFFFAOYSA-N
MW224.05 g/mol
LogP1.38
Rot. Bonds1

About 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride

2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride (PubChem CID 175060859) has the molecular formula C6H7Cl2N3O2 and a molecular weight of 224.05 g/mol. Its IUPAC name is 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride.

Molecular Properties

Compound Name2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride
PubChem CID175060859
Molecular FormulaC6H7Cl2N3O2
Molecular Weight224.05 g/mol
Exact Mass222.99
IUPAC Name2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride
SMILESCl.Clc1cc2ccc1-2.NN[N+](=O)[O-]
InChIInChI=1S/C6H3Cl.ClH.H3N3O2/c7-6-3-4-1-2-5(4)6;;1-2-3(4)5/h1-3H;1H;2H,1H2
InChIKeyGTYXZCHAAXOJKC-UHFFFAOYSA-N
XLogP1.38
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride 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 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride?
The IUPAC name of 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride (CID 175060859) is 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride.
What is the SMILES notation for 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride?
The canonical SMILES for 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride is Cl.Clc1cc2ccc1-2.NN[N+](=O)[O-].
What is the InChIKey of 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride?
The InChIKey is GTYXZCHAAXOJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl.ClH.H3N3O2/c7-6-3-4-1-2-5(4)6;;1-2-3(4)5/h1-3H;1H;2H,1H2.
What are the key properties of 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride?
2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride has a molecular weight of 224.05 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobicyclo[2.2.0]hexa-1,3,5-triene;nitric hydrazide;hydrochloride is sourced from PubChem (CID 175060859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).