iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid

C22H18IrN3O2- — CID 59657094

IUPACiridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid
SMILESCn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C16H13N2.C6H5NO2.Ir/c1-18-11-10-16(17-18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;8-6(9)5-3-1-2-4-7-5;/h2-8,10-12H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyUQDRPLMDUXTAOZ-UHFFFAOYSA-N
MW548.62 g/mol
LogP4.33
Rot. Bonds3

About iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid

iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid (PubChem CID 59657094) has the molecular formula C22H18IrN3O2- and a molecular weight of 548.62 g/mol. Its IUPAC name is iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid
PubChem CID59657094
Molecular FormulaC22H18IrN3O2-
Molecular Weight548.62 g/mol
Exact Mass549.10
IUPAC Nameiridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid
SMILESCn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C16H13N2.C6H5NO2.Ir/c1-18-11-10-16(17-18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;8-6(9)5-3-1-2-4-7-5;/h2-8,10-12H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyUQDRPLMDUXTAOZ-UHFFFAOYSA-N
XLogP4.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid 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

iridium;6-(3-phenylbenzene-6-id-1-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;pyridine-2-carboxylic acid
CID 59621725
iridium;1-methyl-4-(3-phenylbenzene-6-id-1-yl)imidazole
CID 59348230
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426416
gadolinium;pyridine-2-carboxylic acid
CID 175231422
benzene;iridium;pyridine-2-carboxylic acid
CID 175281168
3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid
CID 58991422
CID 175246691
CID 175246691
hafnium;pyridine-2-carboxylic acid
CID 175130925

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid?
The IUPAC name of iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid (CID 59657094) is iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid?
The canonical SMILES for iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid is Cn1ccc(-c2[c-]ccc(-c3ccccc3)c2)n1.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid?
The InChIKey is UQDRPLMDUXTAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.C6H5NO2.Ir/c1-18-11-10-16(17-18)15-9-5-8-14(12-15)13-6-3-2-4-7-13;8-6(9)5-3-1-2-4-7-5;/h2-8,10-12H,1H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid?
iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid has a molecular weight of 548.62 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 59657094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).