2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)

C21H13F2N3O2Pt — CID 58709001

About 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)

2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+) (PubChem CID 58709001) has the molecular formula C21H13F2N3O2Pt and a molecular weight of 572.43 g/mol. Its IUPAC name is 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)
• PubChem CID: 58709001
• Molecular Formula: C21H13F2N3O2Pt
• Molecular Weight: 572.43 g/mol
• Exact Mass: 572.06
• IUPAC Name: 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)
• SMILES: Cc1ccc(-c2cccc(Oc3[c-]c(Oc4ccccn4)c(F)cc3F)n2)[n-]1.[Pt+2]
• InChI: InChI=1S/C21H13F2N3O2.Pt/c1-13-8-9-17(25-13)16-5-4-7-21(26-16)28-19-12-18(14(22)11-15(19)23)27-20-6-2-3-10-24-20;/h2-11H,1H3;/q-2;+2
• InChIKey: NLGSTBQWCXTPOX-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 58.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.43
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)?

The IUPAC name of 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+) (CID 58709001) is 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+).

What is the SMILES notation for 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)?

The canonical SMILES for 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+) is Cc1ccc(-c2cccc(Oc3[c-]c(Oc4ccccn4)c(F)cc3F)n2)[n-]1.[Pt+2].

What is the InChIKey of 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)?

The InChIKey is NLGSTBQWCXTPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O2.Pt/c1-13-8-9-17(25-13)16-5-4-7-21(26-16)28-19-12-18(14(22)11-15(19)23)27-20-6-2-3-10-24-20;/h2-11H,1H3;/q-2;+2.

What are the key properties of 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+)?

2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+) has a molecular weight of 572.43 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluoro-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrrol-1-id-2-yl)pyridine;platinum(2+) is sourced from PubChem (CID 58709001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).