(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum

C18H14F2N4O2Pt — CID 58203025

IUPAC(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum
SMILESC[N+](C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt]
InChIInChI=1S/C18H14F2N4O2.Pt/c1-24(2,16-8-4-6-13(22-16)18(25)26)15-7-3-5-12(21-15)11-9-10-14(19)23-17(11)20;/h3-8,10H,1-2H3,(H,25,26);
InChIKeyFSTIQJPKUAZMIX-UHFFFAOYSA-N
MW551.41 g/mol
LogP3.21
Rot. Bonds4

About (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum

(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum (PubChem CID 58203025) has the molecular formula C18H14F2N4O2Pt and a molecular weight of 551.41 g/mol. Its IUPAC name is (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum.

Molecular Properties

Compound Name(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum
PubChem CID58203025
Molecular FormulaC18H14F2N4O2Pt
Molecular Weight551.41 g/mol
Exact Mass551.07
IUPAC Name(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum
SMILESC[N+](C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt]
InChIInChI=1S/C18H14F2N4O2.Pt/c1-24(2,16-8-4-6-13(22-16)18(25)26)15-7-3-5-12(21-15)11-9-10-14(19)23-17(11)20;/h3-8,10H,1-2H3,(H,25,26);
InChIKeyFSTIQJPKUAZMIX-UHFFFAOYSA-N
XLogP3.21
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum?
The IUPAC name of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum (CID 58203025) is (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum.
What is the SMILES notation for (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum?
The canonical SMILES for (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum is C[N+](C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt].
What is the InChIKey of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum?
The InChIKey is FSTIQJPKUAZMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2.Pt/c1-24(2,16-8-4-6-13(22-16)18(25)26)15-7-3-5-12(21-15)11-9-10-14(19)23-17(11)20;/h3-8,10H,1-2H3,(H,25,26);.
What are the key properties of (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum?
(6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum has a molecular weight of 551.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-carboxy-2-pyridinyl)-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]-dimethylazanium;platinum is sourced from PubChem (CID 58203025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).