5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium

C25H20FIrN4O2- — CID 153433087

IUPAC5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium
SMILESCN1c2ccccc2N(C)c2c(-c3ccccn3)[c-]ccc21.O=C(O)c1ccc(F)cn1.[Ir]
InChIInChI=1S/C19H16N3.C6H4FNO2.Ir/c1-21-16-10-3-4-11-17(16)22(2)19-14(8-7-12-18(19)21)15-9-5-6-13-20-15;7-4-1-2-5(6(9)10)8-3-4;/h3-7,9-13H,1-2H3;1-3H,(H,9,10);/q-1;;
InChIKeyDGLJNCJJOMHTMC-UHFFFAOYSA-N
MW619.68 g/mol
LogP5.31
Rot. Bonds2

About 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium

5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium (PubChem CID 153433087) has the molecular formula C25H20FIrN4O2- and a molecular weight of 619.68 g/mol. Its IUPAC name is 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium.

Molecular Properties

Compound Name5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium
PubChem CID153433087
Molecular FormulaC25H20FIrN4O2-
Molecular Weight619.68 g/mol
Exact Mass620.12
IUPAC Name5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium
SMILESCN1c2ccccc2N(C)c2c(-c3ccccn3)[c-]ccc21.O=C(O)c1ccc(F)cn1.[Ir]
InChIInChI=1S/C19H16N3.C6H4FNO2.Ir/c1-21-16-10-3-4-11-17(16)22(2)19-14(8-7-12-18(19)21)15-9-5-6-13-20-15;7-4-1-2-5(6(9)10)8-3-4;/h3-7,9-13H,1-2H3;1-3H,(H,9,10);/q-1;;
InChIKeyDGLJNCJJOMHTMC-UHFFFAOYSA-N
XLogP5.31
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium 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;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
3,7-diethylnonane-4,6-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;iridium
CID 153433182
bis(5,6-dimethyl-6,10-dihydrobenzo[c][1,5]naphthyridin-10-ide);iridium;pyridine-2-carboxylic acid
CID 59467515
iridium;1-methyl-3-(3-phenylbenzene-6-id-1-yl)pyrazole;pyridine-2-carboxylic acid
CID 59657094
(2,6-difluoro-3-pyridin-2-ylbenzene-4-id-1-yl)-trimethylsilane;iridium;pyridine-2-carboxylic acid
CID 140743566
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol
CID 160983476
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;quinoline-2-carboxylic acid
CID 91867153
10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;iridium;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 153432920
bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);iridium;pyridine-2-carboxylic acid
CID 172916060
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1,5-dimethylpyrazole-3-carboxylic acid;1-(1,5-dimethylpyrazol-3-yl)ethenol;bis(iridium)
CID 157130011
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;1-methylpyridin-1-ium-2-carboxylic acid
CID 58037200

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium?
The IUPAC name of 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium (CID 153433087) is 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium.
What is the SMILES notation for 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium?
The canonical SMILES for 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium is CN1c2ccccc2N(C)c2c(-c3ccccn3)[c-]ccc21.O=C(O)c1ccc(F)cn1.[Ir].
What is the InChIKey of 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium?
The InChIKey is DGLJNCJJOMHTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N3.C6H4FNO2.Ir/c1-21-16-10-3-4-11-17(16)22(2)19-14(8-7-12-18(19)21)15-9-5-6-13-20-15;7-4-1-2-5(6(9)10)8-3-4;/h3-7,9-13H,1-2H3;1-3H,(H,9,10);/q-1;;.
What are the key properties of 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium?
5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium has a molecular weight of 619.68 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium is sourced from PubChem (CID 153433087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).