iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid

C25H17IrN2O2- — CID 58162366

IUPACiridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1cc2ccccc2cc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H12N.C6H5NO2.Ir/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19;8-6(9)5-3-1-2-4-7-5;/h1-9,11-13H;1-4H,(H,8,9);/q-1;;
InChIKeyFRHFYONEJTZFHK-UHFFFAOYSA-N
MW569.64 g/mol
LogP5.63
Rot. Bonds2

About iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid

iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid (PubChem CID 58162366) has the molecular formula C25H17IrN2O2- and a molecular weight of 569.64 g/mol. Its IUPAC name is iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid
PubChem CID58162366
Molecular FormulaC25H17IrN2O2-
Molecular Weight569.64 g/mol
Exact Mass570.09
IUPAC Nameiridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1cc2ccccc2cc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H12N.C6H5NO2.Ir/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19;8-6(9)5-3-1-2-4-7-5;/h1-9,11-13H;1-4H,(H,8,9);/q-1;;
InChIKeyFRHFYONEJTZFHK-UHFFFAOYSA-N
XLogP5.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
2-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)methyl)benzoic acid
CID 11211919
5-(2-Methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394444
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
2-[4-(2-Methyl-3-pyridinyl)phenyl]quinoline-4-carboxylic acid
CID 145968108
2-[4-(4-Methyl-3-pyridinyl)phenyl]quinoline-4-carboxylic acid
CID 145969747
2-(4-Pyridin-3-ylphenyl)quinoline-4-carboxylic acid
CID 145969925
9-Benzylpyrido[3,4-b]indole-3-carboxylic acid
CID 23112849
2-(4-Pyridin-4-ylphenyl)quinoline-4-carboxylic acid
CID 145968095
1-benzyl-3-phenyl-5-(1H-pyrrol-1-yl)-1H-indole-2-carboxylic acid
CID 11486167
4-ethyl-5-(1H-indol-4-yl)-3-phenyl-1H-pyrrole-2-carboxylic acid
CID 146350115
3-cyclohexyl-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 146350448

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid?
The IUPAC name of iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid (CID 58162366) is iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid?
The canonical SMILES for iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Ir].[c-]1cc2ccccc2cc1-c1ccc2ccccc2n1.
What is the InChIKey of iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid?
The InChIKey is FRHFYONEJTZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N.C6H5NO2.Ir/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19;8-6(9)5-3-1-2-4-7-5;/h1-9,11-13H;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid?
iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid has a molecular weight of 569.64 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3H-naphthalen-3-id-2-yl)quinoline;pyridine-2-carboxylic acid is sourced from PubChem (CID 58162366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).