3-chloro-6-phenylpyridazine;iridium

C10H6ClIrN2- — CID 23526287

IUPAC3-chloro-6-phenylpyridazine;iridium
SMILESClc1ccc(-c2[c-]cccc2)nn1.[Ir]
InChIInChI=1S/C10H6ClN2.Ir/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;/h1-4,6-7H;/q-1;
InChIKeyYMCBGGNXKQWCGG-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.59
Rot. Bonds1

About 3-chloro-6-phenylpyridazine;iridium

3-chloro-6-phenylpyridazine;iridium (PubChem CID 23526287) has the molecular formula C10H6ClIrN2- and a molecular weight of 381.84 g/mol. Its IUPAC name is 3-chloro-6-phenylpyridazine;iridium.

Molecular Properties

Compound Name3-chloro-6-phenylpyridazine;iridium
PubChem CID23526287
Molecular FormulaC10H6ClIrN2-
Molecular Weight381.84 g/mol
Exact Mass381.99
IUPAC Name3-chloro-6-phenylpyridazine;iridium
SMILESClc1ccc(-c2[c-]cccc2)nn1.[Ir]
InChIInChI=1S/C10H6ClN2.Ir/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;/h1-4,6-7H;/q-1;
InChIKeyYMCBGGNXKQWCGG-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-6-phenylpyridazine;iridium 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-chloro-6-phenylpyridazine;iridium?
The IUPAC name of 3-chloro-6-phenylpyridazine;iridium (CID 23526287) is 3-chloro-6-phenylpyridazine;iridium.
What is the SMILES notation for 3-chloro-6-phenylpyridazine;iridium?
The canonical SMILES for 3-chloro-6-phenylpyridazine;iridium is Clc1ccc(-c2[c-]cccc2)nn1.[Ir].
What is the InChIKey of 3-chloro-6-phenylpyridazine;iridium?
The InChIKey is YMCBGGNXKQWCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN2.Ir/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;/h1-4,6-7H;/q-1;.
What are the key properties of 3-chloro-6-phenylpyridazine;iridium?
3-chloro-6-phenylpyridazine;iridium has a molecular weight of 381.84 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenylpyridazine;iridium is sourced from PubChem (CID 23526287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).