platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid

C23H16N3O2Pt- — CID 58661120

IUPACplatinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(c2[c-]c(-c3ccccn3)ccc2)c2ccccc2)n1.[Pt]
InChIInChI=1S/C23H16N3O2.Pt/c27-23(28)21-13-7-14-22(25-21)26(18-9-2-1-3-10-18)19-11-6-8-17(16-19)20-12-4-5-15-24-20;/h1-15H,(H,27,28);/q-1;
InChIKeyBPADDFBJFLANRA-UHFFFAOYSA-N
MW561.48 g/mol
LogP5.11
Rot. Bonds5

About platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid

platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid (PubChem CID 58661120) has the molecular formula C23H16N3O2Pt- and a molecular weight of 561.48 g/mol. Its IUPAC name is platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameplatinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid
PubChem CID58661120
Molecular FormulaC23H16N3O2Pt-
Molecular Weight561.48 g/mol
Exact Mass561.09
IUPAC Nameplatinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(c2[c-]c(-c3ccccn3)ccc2)c2ccccc2)n1.[Pt]
InChIInChI=1S/C23H16N3O2.Pt/c27-23(28)21-13-7-14-22(25-21)26(18-9-2-1-3-10-18)19-11-6-8-17(16-19)20-12-4-5-15-24-20;/h1-15H,(H,27,28);/q-1;
InChIKeyBPADDFBJFLANRA-UHFFFAOYSA-N
XLogP5.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid?
The IUPAC name of platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid (CID 58661120) is platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid.
What is the SMILES notation for platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid?
The canonical SMILES for platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid is O=C(O)c1cccc(N(c2[c-]c(-c3ccccn3)ccc2)c2ccccc2)n1.[Pt].
What is the InChIKey of platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid?
The InChIKey is BPADDFBJFLANRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N3O2.Pt/c27-23(28)21-13-7-14-22(25-21)26(18-9-2-1-3-10-18)19-11-6-8-17(16-19)20-12-4-5-15-24-20;/h1-15H,(H,27,28);/q-1;.
What are the key properties of platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid?
platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid has a molecular weight of 561.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;6-(N-(3-pyridin-2-ylbenzene-2-id-1-yl)anilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 58661120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).