iridium;2-phenylpyridine;pyridine-2-carboxylic acid

C17H13IrN2O2- — CID 23568206

IUPACiridium;2-phenylpyridine;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C6H5NO2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;/h1-6,8-9H;1-4H,(H,8,9);/q-1;;
InChIKeyCXONJEIXZGJUTK-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.33
Rot. Bonds2

About iridium;2-phenylpyridine;pyridine-2-carboxylic acid

iridium;2-phenylpyridine;pyridine-2-carboxylic acid (PubChem CID 23568206) has the molecular formula C17H13IrN2O2- and a molecular weight of 469.52 g/mol. Its IUPAC name is iridium;2-phenylpyridine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;pyridine-2-carboxylic acid
PubChem CID23568206
Molecular FormulaC17H13IrN2O2-
Molecular Weight469.52 g/mol
Exact Mass470.06
IUPAC Nameiridium;2-phenylpyridine;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C6H5NO2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;/h1-6,8-9H;1-4H,(H,8,9);/q-1;;
InChIKeyCXONJEIXZGJUTK-UHFFFAOYSA-N
XLogP3.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;pyridine-2-carboxylic acid?
The IUPAC name of iridium;2-phenylpyridine;pyridine-2-carboxylic acid (CID 23568206) is iridium;2-phenylpyridine;pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;2-phenylpyridine;pyridine-2-carboxylic acid?
The canonical SMILES for iridium;2-phenylpyridine;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;pyridine-2-carboxylic acid?
The InChIKey is CXONJEIXZGJUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.C6H5NO2.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;/h1-6,8-9H;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;2-phenylpyridine;pyridine-2-carboxylic acid?
iridium;2-phenylpyridine;pyridine-2-carboxylic acid has a molecular weight of 469.52 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 23568206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).