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

C23H16N3O3Pt- — CID 23569964

IUPACplatinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILESO=C(O)c1ccccn1.[Pt].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2
InChIInChI=1S/C17H11N2O.C6H5NO2.Pt/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;;
InChIKeyXZHXAUQMFSEDTM-UHFFFAOYSA-N
MW577.48 g/mol
LogP5.23
Rot. Bonds2

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

platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide (PubChem CID 23569964) has the molecular formula C23H16N3O3Pt- and a molecular weight of 577.48 g/mol. Its IUPAC name is platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide.

Molecular Properties

Compound Nameplatinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide
PubChem CID23569964
Molecular FormulaC23H16N3O3Pt-
Molecular Weight577.48 g/mol
Exact Mass577.08
IUPAC Nameplatinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide
SMILESO=C(O)c1ccccn1.[Pt].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2
InChIInChI=1S/C17H11N2O.C6H5NO2.Pt/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;;
InChIKeyXZHXAUQMFSEDTM-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 ≤ 500577.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The IUPAC name of platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide (CID 23569964) is platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide.
What is the SMILES notation for platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The canonical SMILES for platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide is O=C(O)c1ccccn1.[Pt].[c-]1cccc2c1N(c1ccccn1)c1ccccc1O2.
What is the InChIKey of platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
The InChIKey is XZHXAUQMFSEDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2O.C6H5NO2.Pt/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 platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide?
platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide has a molecular weight of 577.48 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 platinum;pyridine-2-carboxylic acid;10-pyridin-2-yl-1H-phenoxazin-1-ide is sourced from PubChem (CID 23569964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).