iridium;2-phenyl-3H-pyridin-3-ide

C11H8IrN- — CID 87372406

IUPACiridium;2-phenyl-3H-pyridin-3-ide
SMILES[Ir].[c-]1cccnc1-c1ccccc1
InChIInChI=1S/C11H8N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9H;/q-1;
InChIKeyKGJIZIAFLRQYIV-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.55
Rot. Bonds1

About iridium;2-phenyl-3H-pyridin-3-ide

iridium;2-phenyl-3H-pyridin-3-ide (PubChem CID 87372406) has the molecular formula C11H8IrN- and a molecular weight of 346.41 g/mol. Its IUPAC name is iridium;2-phenyl-3H-pyridin-3-ide.

Molecular Properties

Compound Nameiridium;2-phenyl-3H-pyridin-3-ide
PubChem CID87372406
Molecular FormulaC11H8IrN-
Molecular Weight346.41 g/mol
Exact Mass347.03
IUPAC Nameiridium;2-phenyl-3H-pyridin-3-ide
SMILES[Ir].[c-]1cccnc1-c1ccccc1
InChIInChI=1S/C11H8N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9H;/q-1;
InChIKeyKGJIZIAFLRQYIV-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 iridium;2-phenyl-3H-pyridin-3-ide?
The IUPAC name of iridium;2-phenyl-3H-pyridin-3-ide (CID 87372406) is iridium;2-phenyl-3H-pyridin-3-ide.
What is the SMILES notation for iridium;2-phenyl-3H-pyridin-3-ide?
The canonical SMILES for iridium;2-phenyl-3H-pyridin-3-ide is [Ir].[c-]1cccnc1-c1ccccc1.
What is the InChIKey of iridium;2-phenyl-3H-pyridin-3-ide?
The InChIKey is KGJIZIAFLRQYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-7,9H;/q-1;.
What are the key properties of iridium;2-phenyl-3H-pyridin-3-ide?
iridium;2-phenyl-3H-pyridin-3-ide has a molecular weight of 346.41 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-3H-pyridin-3-ide is sourced from PubChem (CID 87372406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).