iridium(3+);pyridin-2-ylmethanone

C6H4IrNO+2 — CID 150226288

IUPACiridium(3+);pyridin-2-ylmethanone
SMILESO=[C-]c1ccccn1.[Ir+3]
InChIInChI=1S/C6H4NO.Ir/c8-5-6-3-1-2-4-7-6;/h1-4H;/q-1;+3
InChIKeyFUNOBCJWWRVUDW-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.54
Rot. Bonds1

About iridium(3+);pyridin-2-ylmethanone

iridium(3+);pyridin-2-ylmethanone (PubChem CID 150226288) has the molecular formula C6H4IrNO+2 and a molecular weight of 298.32 g/mol. Its IUPAC name is iridium(3+);pyridin-2-ylmethanone.

Molecular Properties

Compound Nameiridium(3+);pyridin-2-ylmethanone
PubChem CID150226288
Molecular FormulaC6H4IrNO+2
Molecular Weight298.32 g/mol
Exact Mass298.99
IUPAC Nameiridium(3+);pyridin-2-ylmethanone
SMILESO=[C-]c1ccccn1.[Ir+3]
InChIInChI=1S/C6H4NO.Ir/c8-5-6-3-1-2-4-7-6;/h1-4H;/q-1;+3
InChIKeyFUNOBCJWWRVUDW-UHFFFAOYSA-N
XLogP0.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.54
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

ethane;pyridin-2-ylmethanone;yttrium
CID 158599294
pyridin-2-ylmethanimine;rhenium
CID 23118324
[6-(oxomethyl)pyrimidin-4-yl]methanone;bis(yttrium)
CID 58784383
ethane;methane;N-methoxy-N-methylpyridine-2-carboxamide;2-methylpyridine;pyridine-2-carbonitrile;pyridin-2-ylmethanone;yttrium
CID 157304420
dichlororhenium;methanone;2-pyridin-2-ylpyridine
CID 162455294
benzene;copper;2-ethenylpyridine;phosphane;hydroiodide
CID 87569289
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360

Frequently Asked Questions

What is the IUPAC name of iridium(3+);pyridin-2-ylmethanone?
The IUPAC name of iridium(3+);pyridin-2-ylmethanone (CID 150226288) is iridium(3+);pyridin-2-ylmethanone.
What is the SMILES notation for iridium(3+);pyridin-2-ylmethanone?
The canonical SMILES for iridium(3+);pyridin-2-ylmethanone is O=[C-]c1ccccn1.[Ir+3].
What is the InChIKey of iridium(3+);pyridin-2-ylmethanone?
The InChIKey is FUNOBCJWWRVUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO.Ir/c8-5-6-3-1-2-4-7-6;/h1-4H;/q-1;+3.
What are the key properties of iridium(3+);pyridin-2-ylmethanone?
iridium(3+);pyridin-2-ylmethanone has a molecular weight of 298.32 g/mol, XLogP of 0.54, 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-ylmethanone is sourced from PubChem (CID 150226288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).