2-(2,4-difluorophenyl)pyridine;trichloroiridium

C11H7Cl3F2IrN — CID 174879451

IUPAC2-(2,4-difluorophenyl)pyridine;trichloroiridium
SMILESCl[Ir](Cl)Cl.Fc1ccc(-c2ccccn2)c(F)c1
InChIInChI=1S/C11H7F2N.3ClH.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h1-7H;3*1H;/q;;;;+3/p-3
InChIKeyHLUUBASSNHZNMJ-UHFFFAOYSA-K
MW489.76 g/mol
LogP5.09
Rot. Bonds1

About 2-(2,4-difluorophenyl)pyridine;trichloroiridium

2-(2,4-difluorophenyl)pyridine;trichloroiridium (PubChem CID 174879451) has the molecular formula C11H7Cl3F2IrN and a molecular weight of 489.76 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)pyridine;trichloroiridium.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)pyridine;trichloroiridium
PubChem CID174879451
Molecular FormulaC11H7Cl3F2IrN
Molecular Weight489.76 g/mol
Exact Mass488.92
IUPAC Name2-(2,4-difluorophenyl)pyridine;trichloroiridium
SMILESCl[Ir](Cl)Cl.Fc1ccc(-c2ccccn2)c(F)c1
InChIInChI=1S/C11H7F2N.3ClH.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h1-7H;3*1H;/q;;;;+3/p-3
InChIKeyHLUUBASSNHZNMJ-UHFFFAOYSA-K
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.76
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)pyridine;trichloroiridium?
The IUPAC name of 2-(2,4-difluorophenyl)pyridine;trichloroiridium (CID 174879451) is 2-(2,4-difluorophenyl)pyridine;trichloroiridium.
What is the SMILES notation for 2-(2,4-difluorophenyl)pyridine;trichloroiridium?
The canonical SMILES for 2-(2,4-difluorophenyl)pyridine;trichloroiridium is Cl[Ir](Cl)Cl.Fc1ccc(-c2ccccn2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)pyridine;trichloroiridium?
The InChIKey is HLUUBASSNHZNMJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H7F2N.3ClH.Ir/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h1-7H;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-(2,4-difluorophenyl)pyridine;trichloroiridium?
2-(2,4-difluorophenyl)pyridine;trichloroiridium has a molecular weight of 489.76 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)pyridine;trichloroiridium is sourced from PubChem (CID 174879451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).