Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate

C₂₂H₂₆N₄NiO₉ — CID 139061820

About Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate

Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate (PubChem CID 139061820) has the molecular formula C₂₂H₂₆N₄NiO₉ and a molecular weight of 549.16 g/mol. Its IUPAC name is nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate.

Molecular Properties

• Compound Name: Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate
• PubChem CID: 139061820
• Molecular Formula: C₂₂H₂₆N₄NiO₉
• Molecular Weight: 549.16 g/mol
• Exact Mass: 548.11
• IUPAC Name: nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate
• SMILES: O.O.O.O.O.O=C([O-])C(=O)[O-].[Ni+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C10H8N2.C2H2O4.Ni.5H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1(4)2(5)6;;;;;;/h2*1-8H;(H,3,4)(H,5,6);;5*1H2/q;;;+2;;;;;/p-2
• InChIKey: ZJJFHOYFDCKQNN-UHFFFAOYSA-L
• XLogP: -3.35
• TPSA: 289.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.16
LogP ≤ 5	-3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate?

The IUPAC name of Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate (CID 139061820) is nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate.

What is the SMILES notation for Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate?

The canonical SMILES for Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate is O.O.O.O.O.O=C([O-])C(=O)[O-].[Ni+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate?

The InChIKey is ZJJFHOYFDCKQNN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.C2H2O4.Ni.5H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1(4)2(5)6;;;;;;/h2*1-8H;(H,3,4)(H,5,6);;5*1H2/q;;;+2;;;;;/p-2.

What are the key properties of Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate?

Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate has a molecular weight of 549.16 g/mol, XLogP of -3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Nickel(2+);oxalate;bis(2-pyridin-2-ylpyridine);pentahydrate is sourced from PubChem (CID 139061820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139061820 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.