iridium;6-phenylpyridine-2,5-dione

C11H6IrNO2- — CID 58983304

IUPACiridium;6-phenylpyridine-2,5-dione
SMILESO=C1C=CC(=O)C(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C11H6NO2.Ir/c13-9-6-7-10(14)12-11(9)8-4-2-1-3-5-8;/h1-4,6-7H;/q-1;
InChIKeyANVBJEWEEXZLNV-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.94
Rot. Bonds1

About iridium;6-phenylpyridine-2,5-dione

iridium;6-phenylpyridine-2,5-dione (PubChem CID 58983304) has the molecular formula C11H6IrNO2- and a molecular weight of 376.39 g/mol. Its IUPAC name is iridium;6-phenylpyridine-2,5-dione.

Molecular Properties

Compound Nameiridium;6-phenylpyridine-2,5-dione
PubChem CID58983304
Molecular FormulaC11H6IrNO2-
Molecular Weight376.39 g/mol
Exact Mass377.00
IUPAC Nameiridium;6-phenylpyridine-2,5-dione
SMILESO=C1C=CC(=O)C(c2[c-]cccc2)=N1.[Ir]
InChIInChI=1S/C11H6NO2.Ir/c13-9-6-7-10(14)12-11(9)8-4-2-1-3-5-8;/h1-4,6-7H;/q-1;
InChIKeyANVBJEWEEXZLNV-UHFFFAOYSA-N
XLogP0.94
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.94
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

Cyclopenta[c]quinolin-4-one
CID 20502643
Quinoline-2,6-dione
CID 45039516
N-(2-ethyl-6-oxocyclohexa-2,4-dien-1-ylidene)acetamide
CID 85783418
Indenopyridone
CID 129789721
3,8-Dihydroquinoline-2,7-dione
CID 17766277
3,6-Dihydroquinoline-2,5-dione
CID 21616870
Quinoline-2,8-dione
CID 45023718
[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;6-phenylpyridine-2,5-dione
CID 58983018
3-fluoro-6-phenyl-2H-pyridin-5-one;iridium
CID 58983147
4-Methylquinoline-2,6-dione
CID 78199486
3H-indole-2,5-dione
CID 85766623
3-Acetylindol-2-one
CID 130031888

Frequently Asked Questions

What is the IUPAC name of iridium;6-phenylpyridine-2,5-dione?
The IUPAC name of iridium;6-phenylpyridine-2,5-dione (CID 58983304) is iridium;6-phenylpyridine-2,5-dione.
What is the SMILES notation for iridium;6-phenylpyridine-2,5-dione?
The canonical SMILES for iridium;6-phenylpyridine-2,5-dione is O=C1C=CC(=O)C(c2[c-]cccc2)=N1.[Ir].
What is the InChIKey of iridium;6-phenylpyridine-2,5-dione?
The InChIKey is ANVBJEWEEXZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6NO2.Ir/c13-9-6-7-10(14)12-11(9)8-4-2-1-3-5-8;/h1-4,6-7H;/q-1;.
What are the key properties of iridium;6-phenylpyridine-2,5-dione?
iridium;6-phenylpyridine-2,5-dione has a molecular weight of 376.39 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-phenylpyridine-2,5-dione is sourced from PubChem (CID 58983304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).