2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate

C15H19N8O10Tb — CID 139202430

About 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate

2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate (PubChem CID 139202430) has the molecular formula C15H19N8O10Tb and a molecular weight of 630.29 g/mol. Its IUPAC name is 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate.

Molecular Properties

• Compound Name: 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate
• PubChem CID: 139202430
• Molecular Formula: C15H19N8O10Tb
• Molecular Weight: 630.29 g/mol
• Exact Mass: 630.05
• IUPAC Name: 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate
• SMILES: CCO.Cc1cc(-c2cccc(-c3cc(C)[nH]n3)n2)n[nH]1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb+3]
• InChI: InChI=1S/C13H13N5.C2H6O.3NO3.Tb/c1-8-6-12(17-15-8)10-4-3-5-11(14-10)13-7-9(2)16-18-13;1-2-3;3*2-1(3)4;/h3-7H,1-2H3,(H,15,17)(H,16,18);3H,2H2,1H3;;;;/q;;3*-1;+3
• InChIKey: FPTUZJPFOUOCRC-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 289.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.29
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate?

The IUPAC name of 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate (CID 139202430) is 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate.

What is the SMILES notation for 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate?

The canonical SMILES for 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate is CCO.Cc1cc(-c2cccc(-c3cc(C)[nH]n3)n2)n[nH]1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb+3].

What is the InChIKey of 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate?

The InChIKey is FPTUZJPFOUOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5.C2H6O.3NO3.Tb/c1-8-6-12(17-15-8)10-4-3-5-11(14-10)13-7-9(2)16-18-13;1-2-3;3*2-1(3)4;/h3-7H,1-2H3,(H,15,17)(H,16,18);3H,2H2,1H3;;;;/q;;3*-1;+3.

What are the key properties of 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate?

2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate has a molecular weight of 630.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate is sourced from PubChem (CID 139202430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).