nickel dicyanide

C2N2Ni-2 — CID 173035766

IUPACnickel dicyanide
SMILES[C-]#N.[C-]#N.[Ni]
InChIInChI=1S/2CN.Ni/c2*1-2;/q2*-1;
InChIKeyCWXVAYQUPYRAMK-UHFFFAOYSA-N
MW110.73 g/mol
LogP0.19
Rot. Bonds

About nickel dicyanide

nickel dicyanide (PubChem CID 173035766) has the molecular formula C2N2Ni-2 and a molecular weight of 110.73 g/mol. Its IUPAC name is nickel dicyanide.

Molecular Properties

Compound Namenickel dicyanide
PubChem CID173035766
Molecular FormulaC2N2Ni-2
Molecular Weight110.73 g/mol
Exact Mass109.94
IUPAC Namenickel dicyanide
SMILES[C-]#N.[C-]#N.[Ni]
InChIInChI=1S/2CN.Ni/c2*1-2;/q2*-1;
InChIKeyCWXVAYQUPYRAMK-UHFFFAOYSA-N
XLogP0.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.73
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nickel dicyanide?
The IUPAC name of nickel dicyanide (CID 173035766) is nickel dicyanide.
What is the SMILES notation for nickel dicyanide?
The canonical SMILES for nickel dicyanide is [C-]#N.[C-]#N.[Ni].
What is the InChIKey of nickel dicyanide?
The InChIKey is CWXVAYQUPYRAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2CN.Ni/c2*1-2;/q2*-1;.
What are the key properties of nickel dicyanide?
nickel dicyanide has a molecular weight of 110.73 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel dicyanide is sourced from PubChem (CID 173035766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).