trisodium;iridium(3+);hexanitrite

IrN6Na3O12 — CID 139046986

IUPACtrisodium;iridium(3+);hexanitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Ir+3].[Na+].[Na+].[Na+]
InChIInChI=1S/Ir.6HNO2.3Na/c;6*2-1-3;;;/h;6*(H,2,3);;;/q+3;;;;;;;3*+1/p-6
InChIKeyGKIZAPPVQAUTGW-UHFFFAOYSA-H
MW537.22 g/mol
LogP-7.49
Rot. Bonds

About trisodium;iridium(3+);hexanitrite

trisodium;iridium(3+);hexanitrite (PubChem CID 139046986) has the molecular formula IrN6Na3O12 and a molecular weight of 537.22 g/mol. Its IUPAC name is trisodium;iridium(3+);hexanitrite.

Molecular Properties

Compound Nametrisodium;iridium(3+);hexanitrite
PubChem CID139046986
Molecular FormulaIrN6Na3O12
Molecular Weight537.22 g/mol
Exact Mass537.89
IUPAC Nametrisodium;iridium(3+);hexanitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Ir+3].[Na+].[Na+].[Na+]
InChIInChI=1S/Ir.6HNO2.3Na/c;6*2-1-3;;;/h;6*(H,2,3);;;/q+3;;;;;;;3*+1/p-6
InChIKeyGKIZAPPVQAUTGW-UHFFFAOYSA-H
XLogP-7.49
TPSA314.94 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.22
LogP ≤ 5-7.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trisodium;iridium(3+);hexanitrite?
The IUPAC name of trisodium;iridium(3+);hexanitrite (CID 139046986) is trisodium;iridium(3+);hexanitrite.
What is the SMILES notation for trisodium;iridium(3+);hexanitrite?
The canonical SMILES for trisodium;iridium(3+);hexanitrite is O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Ir+3].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;iridium(3+);hexanitrite?
The InChIKey is GKIZAPPVQAUTGW-UHFFFAOYSA-H. The full InChI is InChI=1S/Ir.6HNO2.3Na/c;6*2-1-3;;;/h;6*(H,2,3);;;/q+3;;;;;;;3*+1/p-6.
What are the key properties of trisodium;iridium(3+);hexanitrite?
trisodium;iridium(3+);hexanitrite has a molecular weight of 537.22 g/mol, XLogP of -7.49, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;iridium(3+);hexanitrite is sourced from PubChem (CID 139046986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).