iridium;3-(2-phenylimidazol-1-yl)pyridine

C14H10IrN3- — CID 58769460

IUPACiridium;3-(2-phenylimidazol-1-yl)pyridine
SMILES[Ir].[c-]1ccccc1-c1nccn1-c1cccnc1
InChIInChI=1S/C14H10N3.Ir/c1-2-5-12(6-3-1)14-16-9-10-17(14)13-7-4-8-15-11-13;/h1-5,7-11H;/q-1;
InChIKeyMTBMVINIVXUHRL-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.73
Rot. Bonds2

About iridium;3-(2-phenylimidazol-1-yl)pyridine

iridium;3-(2-phenylimidazol-1-yl)pyridine (PubChem CID 58769460) has the molecular formula C14H10IrN3- and a molecular weight of 412.47 g/mol. Its IUPAC name is iridium;3-(2-phenylimidazol-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;3-(2-phenylimidazol-1-yl)pyridine
PubChem CID58769460
Molecular FormulaC14H10IrN3-
Molecular Weight412.47 g/mol
Exact Mass413.05
IUPAC Nameiridium;3-(2-phenylimidazol-1-yl)pyridine
SMILES[Ir].[c-]1ccccc1-c1nccn1-c1cccnc1
InChIInChI=1S/C14H10N3.Ir/c1-2-5-12(6-3-1)14-16-9-10-17(14)13-7-4-8-15-11-13;/h1-5,7-11H;/q-1;
InChIKeyMTBMVINIVXUHRL-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;3-(2-phenylimidazol-1-yl)pyridine?
The IUPAC name of iridium;3-(2-phenylimidazol-1-yl)pyridine (CID 58769460) is iridium;3-(2-phenylimidazol-1-yl)pyridine.
What is the SMILES notation for iridium;3-(2-phenylimidazol-1-yl)pyridine?
The canonical SMILES for iridium;3-(2-phenylimidazol-1-yl)pyridine is [Ir].[c-]1ccccc1-c1nccn1-c1cccnc1.
What is the InChIKey of iridium;3-(2-phenylimidazol-1-yl)pyridine?
The InChIKey is MTBMVINIVXUHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N3.Ir/c1-2-5-12(6-3-1)14-16-9-10-17(14)13-7-4-8-15-11-13;/h1-5,7-11H;/q-1;.
What are the key properties of iridium;3-(2-phenylimidazol-1-yl)pyridine?
iridium;3-(2-phenylimidazol-1-yl)pyridine has a molecular weight of 412.47 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(2-phenylimidazol-1-yl)pyridine is sourced from PubChem (CID 58769460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).