iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide

C23H16IrN3O3- — CID 23569958

IUPACiridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILESO=C(O)c1ccccn1.[Ir].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2
InChIInChI=1S/C17H11N2O.C6H5NO2.Ir/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;8-6(9)5-3-1-2-4-7-5;/h1-7,9-12H;1-4H,(H,8,9);/q-1;;
InChIKeyOJIDRVRWFXCQAD-UHFFFAOYSA-N
MW574.62 g/mol
LogP5.23
Rot. Bonds2

About iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide

iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide (PubChem CID 23569958) has the molecular formula C23H16IrN3O3- and a molecular weight of 574.62 g/mol. Its IUPAC name is iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide.

Molecular Properties

Compound Nameiridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide
PubChem CID23569958
Molecular FormulaC23H16IrN3O3-
Molecular Weight574.62 g/mol
Exact Mass575.08
IUPAC Nameiridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILESO=C(O)c1ccccn1.[Ir].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2
InChIInChI=1S/C17H11N2O.C6H5NO2.Ir/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;8-6(9)5-3-1-2-4-7-5;/h1-7,9-12H;1-4H,(H,8,9);/q-1;;
InChIKeyOJIDRVRWFXCQAD-UHFFFAOYSA-N
XLogP5.23
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.62
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide with MolForge

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

Launch Full Analysis

Related Compounds

6-(1,3-Benzoxazol-2-yl)-1-pyridin-2-ylpyridin-2-one
CID 122229560
6-[4-[(3-Fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122056990
6-[3-[(3-Fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122056994
2-phenylpyridine;platinum(2+);10-pyridin-2-yl-1H-phenoxazin-1-ide
CID 23569955
platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide
CID 23569964
6-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25175065
[1-(pyridin-2-ylmethyl)piperidin-3-yl] (2S)-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxylate
CID 57155687
(3S)-1-(2-pyridinylmethyl)-3-piperidinyl (2S)-1-(1,3-benzoxazol-2-yl)-2-piperidinecarboxylate
CID 57262118
(2-Piperidin-1-yl-4-pyridinyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
CID 58551309
iridium;2-phenylpyridine;10-pyridin-2-yl-1H-phenoxazin-1-ide
CID 58644893
platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid
CID 58661120
Platinum;6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carboxylic acid
CID 58709025

Frequently Asked Questions

What is the IUPAC name of iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The IUPAC name of iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide (CID 23569958) is iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide.
What is the SMILES notation for iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The canonical SMILES for iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide is O=C(O)c1ccccn1.[Ir].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.
What is the InChIKey of iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The InChIKey is OJIDRVRWFXCQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2O.C6H5NO2.Ir/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;8-6(9)5-3-1-2-4-7-5;/h1-7,9-12H;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide has a molecular weight of 574.62 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide is sourced from PubChem (CID 23569958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).