[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium

C12H11IrN4- — CID 166551378

IUPAC[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium
SMILES[H]/N=C(\c1ccncc1)c1cc(N)ccc1[NH-].[Ir]
InChIInChI=1S/C12H11N4.Ir/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-7,14-15H,13H2;/q-1;/b15-12+;
InChIKeyOSPJOSKRLGBDCR-JRUHLWALSA-N
MW403.47 g/mol
LogP2.76
Rot. Bonds2

About [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium

[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium (PubChem CID 166551378) has the molecular formula C12H11IrN4- and a molecular weight of 403.47 g/mol. Its IUPAC name is [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium.

Molecular Properties

Compound Name[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium
PubChem CID166551378
Molecular FormulaC12H11IrN4-
Molecular Weight403.47 g/mol
Exact Mass404.06
IUPAC Name[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium
SMILES[H]/N=C(\c1ccncc1)c1cc(N)ccc1[NH-].[Ir]
InChIInChI=1S/C12H11N4.Ir/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-7,14-15H,13H2;/q-1;/b15-12+;
InChIKeyOSPJOSKRLGBDCR-JRUHLWALSA-N
XLogP2.76
TPSA86.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium?
The IUPAC name of [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium (CID 166551378) is [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium.
What is the SMILES notation for [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium?
The canonical SMILES for [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium is [H]/N=C(\c1ccncc1)c1cc(N)ccc1[NH-].[Ir].
What is the InChIKey of [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium?
The InChIKey is OSPJOSKRLGBDCR-JRUHLWALSA-N. The full InChI is InChI=1S/C12H11N4.Ir/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-7,14-15H,13H2;/q-1;/b15-12+;.
What are the key properties of [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium?
[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium has a molecular weight of 403.47 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium is sourced from PubChem (CID 166551378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).