europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate

C24H18EuN11O15 — CID 139204344

About europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate

europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate (PubChem CID 139204344) has the molecular formula C24H18EuN11O15 and a molecular weight of 852.43 g/mol. Its IUPAC name is europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate.

Molecular Properties

• Compound Name: europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate
• PubChem CID: 139204344
• Molecular Formula: C24H18EuN11O15
• Molecular Weight: 852.43 g/mol
• Exact Mass: 853.02
• IUPAC Name: europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate
• SMILES: O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Eu+3].c1ccc(-c2[nH+]c(-c3ccccn3)c(-c3ccccn3)[nH+]c2-c2ccccn2)nc1
• InChI: InChI=1S/C24H16N6.Eu.5NO3/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19;;5*2-1(3)4/h1-16H;;;;;;/q;+3;5*-1/p+2
• InChIKey: OTTQLCQEEVABBA-UHFFFAOYSA-P
• XLogP: 2.37
• TPSA: 410.84 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.43
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate?

The IUPAC name of europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate (CID 139204344) is europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate.

What is the SMILES notation for europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate?

The canonical SMILES for europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Eu+3].c1ccc(-c2[nH+]c(-c3ccccn3)c(-c3ccccn3)[nH+]c2-c2ccccn2)nc1.

What is the InChIKey of europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate?

The InChIKey is OTTQLCQEEVABBA-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H16N6.Eu.5NO3/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19;;5*2-1(3)4/h1-16H;;;;;;/q;+3;5*-1/p+2.

What are the key properties of europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate?

europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate has a molecular weight of 852.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate is sourced from PubChem (CID 139204344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).