iridium;3-pyridin-2-yl-4H-pyridin-4-ide

C10H7IrN2- — CID 140686819

IUPACiridium;3-pyridin-2-yl-4H-pyridin-4-ide
SMILES[Ir].[c-]1ccncc1-c1ccccn1
InChIInChI=1S/C10H7N2.Ir/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h1-3,5-8H;/q-1;
InChIKeyFOVPJROFVFLDQP-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.94
Rot. Bonds1

About iridium;3-pyridin-2-yl-4H-pyridin-4-ide

iridium;3-pyridin-2-yl-4H-pyridin-4-ide (PubChem CID 140686819) has the molecular formula C10H7IrN2- and a molecular weight of 347.40 g/mol. Its IUPAC name is iridium;3-pyridin-2-yl-4H-pyridin-4-ide.

Molecular Properties

Compound Nameiridium;3-pyridin-2-yl-4H-pyridin-4-ide
PubChem CID140686819
Molecular FormulaC10H7IrN2-
Molecular Weight347.40 g/mol
Exact Mass348.02
IUPAC Nameiridium;3-pyridin-2-yl-4H-pyridin-4-ide
SMILES[Ir].[c-]1ccncc1-c1ccccn1
InChIInChI=1S/C10H7N2.Ir/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h1-3,5-8H;/q-1;
InChIKeyFOVPJROFVFLDQP-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.94
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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Related Compounds

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2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
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CID 59800441

Frequently Asked Questions

What is the IUPAC name of iridium;3-pyridin-2-yl-4H-pyridin-4-ide?
The IUPAC name of iridium;3-pyridin-2-yl-4H-pyridin-4-ide (CID 140686819) is iridium;3-pyridin-2-yl-4H-pyridin-4-ide.
What is the SMILES notation for iridium;3-pyridin-2-yl-4H-pyridin-4-ide?
The canonical SMILES for iridium;3-pyridin-2-yl-4H-pyridin-4-ide is [Ir].[c-]1ccncc1-c1ccccn1.
What is the InChIKey of iridium;3-pyridin-2-yl-4H-pyridin-4-ide?
The InChIKey is FOVPJROFVFLDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2.Ir/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h1-3,5-8H;/q-1;.
What are the key properties of iridium;3-pyridin-2-yl-4H-pyridin-4-ide?
iridium;3-pyridin-2-yl-4H-pyridin-4-ide has a molecular weight of 347.40 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-pyridin-2-yl-4H-pyridin-4-ide is sourced from PubChem (CID 140686819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).