nickel(2+);2-pyridin-2-ylpyridine;nitrate

C10H8N3NiO3+ — CID 22572268

IUPACnickel(2+);2-pyridin-2-ylpyridine;nitrate
SMILESO=[N+]([O-])[O-].[Ni+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.NO3.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h1-8H;;/q;-1;+2
InChIKeyDZRYCGNIVWAFGP-UHFFFAOYSA-N
MW276.88 g/mol
LogP1.90
Rot. Bonds1

About nickel(2+);2-pyridin-2-ylpyridine;nitrate

nickel(2+);2-pyridin-2-ylpyridine;nitrate (PubChem CID 22572268) has the molecular formula C10H8N3NiO3+ and a molecular weight of 276.88 g/mol. Its IUPAC name is nickel(2+);2-pyridin-2-ylpyridine;nitrate.

Molecular Properties

Compound Namenickel(2+);2-pyridin-2-ylpyridine;nitrate
PubChem CID22572268
Molecular FormulaC10H8N3NiO3+
Molecular Weight276.88 g/mol
Exact Mass275.99
IUPAC Namenickel(2+);2-pyridin-2-ylpyridine;nitrate
SMILESO=[N+]([O-])[O-].[Ni+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.NO3.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h1-8H;;/q;-1;+2
InChIKeyDZRYCGNIVWAFGP-UHFFFAOYSA-N
XLogP1.90
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.88
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);2-pyridin-2-ylpyridine;nitrate?
The IUPAC name of nickel(2+);2-pyridin-2-ylpyridine;nitrate (CID 22572268) is nickel(2+);2-pyridin-2-ylpyridine;nitrate.
What is the SMILES notation for nickel(2+);2-pyridin-2-ylpyridine;nitrate?
The canonical SMILES for nickel(2+);2-pyridin-2-ylpyridine;nitrate is O=[N+]([O-])[O-].[Ni+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of nickel(2+);2-pyridin-2-ylpyridine;nitrate?
The InChIKey is DZRYCGNIVWAFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.NO3.Ni/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3)4;/h1-8H;;/q;-1;+2.
What are the key properties of nickel(2+);2-pyridin-2-ylpyridine;nitrate?
nickel(2+);2-pyridin-2-ylpyridine;nitrate has a molecular weight of 276.88 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);2-pyridin-2-ylpyridine;nitrate is sourced from PubChem (CID 22572268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).