carbanide;iridium;2-pyridin-2-ylpyridine;hydrate

C11H13IrN2O- — CID 59154431

IUPACcarbanide;iridium;2-pyridin-2-ylpyridine;hydrate
SMILESO.[CH3-].[Ir].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.CH3.Ir.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-8H;1H3;;1H2/q;-1;;
InChIKeyGIFZFRVHAISYFE-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.77
Rot. Bonds1

About carbanide;iridium;2-pyridin-2-ylpyridine;hydrate

carbanide;iridium;2-pyridin-2-ylpyridine;hydrate (PubChem CID 59154431) has the molecular formula C11H13IrN2O- and a molecular weight of 381.46 g/mol. Its IUPAC name is carbanide;iridium;2-pyridin-2-ylpyridine;hydrate.

Molecular Properties

Compound Namecarbanide;iridium;2-pyridin-2-ylpyridine;hydrate
PubChem CID59154431
Molecular FormulaC11H13IrN2O-
Molecular Weight381.46 g/mol
Exact Mass382.07
IUPAC Namecarbanide;iridium;2-pyridin-2-ylpyridine;hydrate
SMILESO.[CH3-].[Ir].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.CH3.Ir.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-8H;1H3;;1H2/q;-1;;
InChIKeyGIFZFRVHAISYFE-UHFFFAOYSA-N
XLogP1.77
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;2-pyridin-2-ylpyridine;hydrate?
The IUPAC name of carbanide;iridium;2-pyridin-2-ylpyridine;hydrate (CID 59154431) is carbanide;iridium;2-pyridin-2-ylpyridine;hydrate.
What is the SMILES notation for carbanide;iridium;2-pyridin-2-ylpyridine;hydrate?
The canonical SMILES for carbanide;iridium;2-pyridin-2-ylpyridine;hydrate is O.[CH3-].[Ir].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of carbanide;iridium;2-pyridin-2-ylpyridine;hydrate?
The InChIKey is GIFZFRVHAISYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.CH3.Ir.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-8H;1H3;;1H2/q;-1;;.
What are the key properties of carbanide;iridium;2-pyridin-2-ylpyridine;hydrate?
carbanide;iridium;2-pyridin-2-ylpyridine;hydrate has a molecular weight of 381.46 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-pyridin-2-ylpyridine;hydrate is sourced from PubChem (CID 59154431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).