acetonitrile;nickel(2+);diacetate

C6H9NNiO4 — CID 161496135

IUPACacetonitrile;nickel(2+);diacetate
SMILESCC#N.CC(=O)[O-].CC(=O)[O-].[Ni+2]
InChIInChI=1S/C2H3N.2C2H4O2.Ni/c1-2-3;2*1-2(3)4;/h1H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyNZNXNQFTCZYKFK-UHFFFAOYSA-L
MW217.83 g/mol
LogP-1.96
Rot. Bonds

About acetonitrile;nickel(2+);diacetate

acetonitrile;nickel(2+);diacetate (PubChem CID 161496135) has the molecular formula C6H9NNiO4 and a molecular weight of 217.83 g/mol. Its IUPAC name is acetonitrile;nickel(2+);diacetate.

Molecular Properties

Compound Nameacetonitrile;nickel(2+);diacetate
PubChem CID161496135
Molecular FormulaC6H9NNiO4
Molecular Weight217.83 g/mol
Exact Mass216.99
IUPAC Nameacetonitrile;nickel(2+);diacetate
SMILESCC#N.CC(=O)[O-].CC(=O)[O-].[Ni+2]
InChIInChI=1S/C2H3N.2C2H4O2.Ni/c1-2-3;2*1-2(3)4;/h1H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyNZNXNQFTCZYKFK-UHFFFAOYSA-L
XLogP-1.96
TPSA104.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.83
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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sodium;zinc;acetate;hydroxide;dihydrate
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tetrasodium;tetraacetate;hydrate
CID 141360802
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738
iron(2+);diacetate;heptahydrate
CID 173209391
sodium;acetate;trihydrate
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Frequently Asked Questions

What is the IUPAC name of acetonitrile;nickel(2+);diacetate?
The IUPAC name of acetonitrile;nickel(2+);diacetate (CID 161496135) is acetonitrile;nickel(2+);diacetate.
What is the SMILES notation for acetonitrile;nickel(2+);diacetate?
The canonical SMILES for acetonitrile;nickel(2+);diacetate is CC#N.CC(=O)[O-].CC(=O)[O-].[Ni+2].
What is the InChIKey of acetonitrile;nickel(2+);diacetate?
The InChIKey is NZNXNQFTCZYKFK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3N.2C2H4O2.Ni/c1-2-3;2*1-2(3)4;/h1H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of acetonitrile;nickel(2+);diacetate?
acetonitrile;nickel(2+);diacetate has a molecular weight of 217.83 g/mol, XLogP of -1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;nickel(2+);diacetate is sourced from PubChem (CID 161496135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).