3,5-dimethylpyridine;bis(pyridine);trichloroiridium

C17H19Cl3IrN3 — CID 58163054

IUPAC3,5-dimethylpyridine;bis(pyridine);trichloroiridium
SMILESCc1cncc(C)c1.Cl[Ir](Cl)Cl.c1ccncc1.c1ccncc1
InChIInChI=1S/C7H9N.2C5H5N.3ClH.Ir/c1-6-3-7(2)5-8-4-6;2*1-2-4-6-5-3-1;;;;/h3-5H,1-2H3;2*1-5H;3*1H;/q;;;;;;+3/p-3
InChIKeyGWDWEHPWCUOCMS-UHFFFAOYSA-K
MW563.94 g/mol
LogP5.93
Rot. Bonds

About 3,5-dimethylpyridine;bis(pyridine);trichloroiridium

3,5-dimethylpyridine;bis(pyridine);trichloroiridium (PubChem CID 58163054) has the molecular formula C17H19Cl3IrN3 and a molecular weight of 563.94 g/mol. Its IUPAC name is 3,5-dimethylpyridine;bis(pyridine);trichloroiridium.

Molecular Properties

Compound Name3,5-dimethylpyridine;bis(pyridine);trichloroiridium
PubChem CID58163054
Molecular FormulaC17H19Cl3IrN3
Molecular Weight563.94 g/mol
Exact Mass563.03
IUPAC Name3,5-dimethylpyridine;bis(pyridine);trichloroiridium
SMILESCc1cncc(C)c1.Cl[Ir](Cl)Cl.c1ccncc1.c1ccncc1
InChIInChI=1S/C7H9N.2C5H5N.3ClH.Ir/c1-6-3-7(2)5-8-4-6;2*1-2-4-6-5-3-1;;;;/h3-5H,1-2H3;2*1-5H;3*1H;/q;;;;;;+3/p-3
InChIKeyGWDWEHPWCUOCMS-UHFFFAOYSA-K
XLogP5.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.94
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpyridine;bis(pyridine);trichloroiridium?
The IUPAC name of 3,5-dimethylpyridine;bis(pyridine);trichloroiridium (CID 58163054) is 3,5-dimethylpyridine;bis(pyridine);trichloroiridium.
What is the SMILES notation for 3,5-dimethylpyridine;bis(pyridine);trichloroiridium?
The canonical SMILES for 3,5-dimethylpyridine;bis(pyridine);trichloroiridium is Cc1cncc(C)c1.Cl[Ir](Cl)Cl.c1ccncc1.c1ccncc1.
What is the InChIKey of 3,5-dimethylpyridine;bis(pyridine);trichloroiridium?
The InChIKey is GWDWEHPWCUOCMS-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H9N.2C5H5N.3ClH.Ir/c1-6-3-7(2)5-8-4-6;2*1-2-4-6-5-3-1;;;;/h3-5H,1-2H3;2*1-5H;3*1H;/q;;;;;;+3/p-3.
What are the key properties of 3,5-dimethylpyridine;bis(pyridine);trichloroiridium?
3,5-dimethylpyridine;bis(pyridine);trichloroiridium has a molecular weight of 563.94 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpyridine;bis(pyridine);trichloroiridium is sourced from PubChem (CID 58163054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).