iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid

C32H23IrN5O4-2 — CID 59467511

IUPACiridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
SMILESCn1c(=O)c2ccc[c-]c2c2ncccc21.Cn1c(=O)c2ccc[c-]c2c2ncccc21.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/2C13H9N2O.C6H5NO2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;8-6(9)5-3-1-2-4-7-5;/h2*2-4,6-8H,1H3;1-4H,(H,8,9);/q2*-1;;
InChIKeyDIXRICRFAURYAH-UHFFFAOYSA-N
MW733.78 g/mol
LogP4.55
Rot. Bonds1

About iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid

iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid (PubChem CID 59467511) has the molecular formula C32H23IrN5O4-2 and a molecular weight of 733.78 g/mol. Its IUPAC name is iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
PubChem CID59467511
Molecular FormulaC32H23IrN5O4-2
Molecular Weight733.78 g/mol
Exact Mass734.14
IUPAC Nameiridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
SMILESCn1c(=O)c2ccc[c-]c2c2ncccc21.Cn1c(=O)c2ccc[c-]c2c2ncccc21.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/2C13H9N2O.C6H5NO2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;8-6(9)5-3-1-2-4-7-5;/h2*2-4,6-8H,1H3;1-4H,(H,8,9);/q2*-1;;
InChIKeyDIXRICRFAURYAH-UHFFFAOYSA-N
XLogP4.55
TPSA119.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500733.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

iridium;bis(5-methyl-7-(trifluoromethyl)-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
CID 59467512
Iridium;2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid
CID 136013306
Osmium;pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine)
CID 20805462
Pyridine-2-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 20805464
Iridium;pyridine-2,6-dicarboxylic acid;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine
CID 57796204
Platinum;6-[[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]methyl]pyridine-2-carboxylic acid
CID 58709017
2-(2,4-Difluorobenzene-6-id-1-yl)-1-methanidylpyridin-1-ium;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);pyridine-2-carboxylic acid
CID 59246594
Bis(2-(3-tert-butylbenzene-6-id-1-yl)pyridine);iridium;pyridine-2-carboxylic acid
CID 59346142
Iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid
CID 59464597
iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid
CID 59467504
iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyrazine-2-carboxylic acid
CID 59467509
Bis(5,6-dimethyl-6,10-dihydrobenzo[c][1,5]naphthyridin-10-ide);iridium;pyridine-2-carboxylic acid
CID 59467515

Frequently Asked Questions

What is the IUPAC name of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid?
The IUPAC name of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid (CID 59467511) is iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid?
The canonical SMILES for iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid is Cn1c(=O)c2ccc[c-]c2c2ncccc21.Cn1c(=O)c2ccc[c-]c2c2ncccc21.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid?
The InChIKey is DIXRICRFAURYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N2O.C6H5NO2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;8-6(9)5-3-1-2-4-7-5;/h2*2-4,6-8H,1H3;1-4H,(H,8,9);/q2*-1;;.
What are the key properties of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid?
iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid has a molecular weight of 733.78 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid is sourced from PubChem (CID 59467511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).