iridium;6-phenyl-2H-pyridin-1-ide

C11H9IrN-2 — CID 59117683

IUPACiridium;6-phenyl-2H-pyridin-1-ide
SMILES[Ir].[c-]1ccccc1C1=CC=CC[N-]1
InChIInChI=1S/C11H9N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8H,9H2;/q-2;
InChIKeyDYIUBBDFYDAZAO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.77
Rot. Bonds1

About iridium;6-phenyl-2H-pyridin-1-ide

iridium;6-phenyl-2H-pyridin-1-ide (PubChem CID 59117683) has the molecular formula C11H9IrN-2 and a molecular weight of 347.42 g/mol. Its IUPAC name is iridium;6-phenyl-2H-pyridin-1-ide.

Molecular Properties

Compound Nameiridium;6-phenyl-2H-pyridin-1-ide
PubChem CID59117683
Molecular FormulaC11H9IrN-2
Molecular Weight347.42 g/mol
Exact Mass348.04
IUPAC Nameiridium;6-phenyl-2H-pyridin-1-ide
SMILES[Ir].[c-]1ccccc1C1=CC=CC[N-]1
InChIInChI=1S/C11H9N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8H,9H2;/q-2;
InChIKeyDYIUBBDFYDAZAO-UHFFFAOYSA-N
XLogP2.77
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;6-phenyl-2H-pyridin-1-ide?
The IUPAC name of iridium;6-phenyl-2H-pyridin-1-ide (CID 59117683) is iridium;6-phenyl-2H-pyridin-1-ide.
What is the SMILES notation for iridium;6-phenyl-2H-pyridin-1-ide?
The canonical SMILES for iridium;6-phenyl-2H-pyridin-1-ide is [Ir].[c-]1ccccc1C1=CC=CC[N-]1.
What is the InChIKey of iridium;6-phenyl-2H-pyridin-1-ide?
The InChIKey is DYIUBBDFYDAZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8H,9H2;/q-2;.
What are the key properties of iridium;6-phenyl-2H-pyridin-1-ide?
iridium;6-phenyl-2H-pyridin-1-ide has a molecular weight of 347.42 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-phenyl-2H-pyridin-1-ide is sourced from PubChem (CID 59117683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).