3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine

C21H14ClIrN3-2 — CID 23526288

IUPAC3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine
SMILESClc1ccc(-c2[c-]cccc2)nn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C10H6ClN2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;/h1-6,8-9H;1-4,6-7H;/q2*-1;
InChIKeyLAXDEVHRTGKBEA-UHFFFAOYSA-N
MW536.03 g/mol
LogP5.14
Rot. Bonds2

About 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine

3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine (PubChem CID 23526288) has the molecular formula C21H14ClIrN3-2 and a molecular weight of 536.03 g/mol. Its IUPAC name is 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine
PubChem CID23526288
Molecular FormulaC21H14ClIrN3-2
Molecular Weight536.03 g/mol
Exact Mass536.05
IUPAC Name3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine
SMILESClc1ccc(-c2[c-]cccc2)nn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C10H6ClN2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;/h1-6,8-9H;1-4,6-7H;/q2*-1;
InChIKeyLAXDEVHRTGKBEA-UHFFFAOYSA-N
XLogP5.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.03
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-phenylpyridazine;iridium
CID 23526287
iridium;tris(2-phenylpyridine)
CID 23386734
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599
iridium;2-phenylpyridine;3-(3H-pyridin-3-id-2-yl)-6-pyridin-2-yl-1,2,4,5-tetrazine
CID 153468232
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine?
The IUPAC name of 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine (CID 23526288) is 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine.
What is the SMILES notation for 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine?
The canonical SMILES for 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine is Clc1ccc(-c2[c-]cccc2)nn1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine?
The InChIKey is LAXDEVHRTGKBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.C10H6ClN2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10-7-6-9(12-13-10)8-4-2-1-3-5-8;/h1-6,8-9H;1-4,6-7H;/q2*-1;.
What are the key properties of 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine?
3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine has a molecular weight of 536.03 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine is sourced from PubChem (CID 23526288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).