nickel(2+);quinoline;diiodide

C18H14I2N2Ni — CID 162206226

IUPACnickel(2+);quinoline;diiodide
SMILES[I-].[I-].[Ni+2].c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2HI.Ni/c2*1-2-6-9-8(4-1)5-3-7-10-9;;;/h2*1-7H;2*1H;/q;;;;+2/p-2
InChIKeyZSFMECZYEKTXSH-UHFFFAOYSA-L
MW570.83 g/mol
LogP-1.52
Rot. Bonds

About nickel(2+);quinoline;diiodide

nickel(2+);quinoline;diiodide (PubChem CID 162206226) has the molecular formula C18H14I2N2Ni and a molecular weight of 570.83 g/mol. Its IUPAC name is nickel(2+);quinoline;diiodide.

Molecular Properties

Compound Namenickel(2+);quinoline;diiodide
PubChem CID162206226
Molecular FormulaC18H14I2N2Ni
Molecular Weight570.83 g/mol
Exact Mass569.86
IUPAC Namenickel(2+);quinoline;diiodide
SMILES[I-].[I-].[Ni+2].c1ccc2ncccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/2C9H7N.2HI.Ni/c2*1-2-6-9-8(4-1)5-3-7-10-9;;;/h2*1-7H;2*1H;/q;;;;+2/p-2
InChIKeyZSFMECZYEKTXSH-UHFFFAOYSA-L
XLogP-1.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.83
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

quinoline
CID 76974643
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
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hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759
quinoline;hydrochloride;hydroiodide
CID 161378453
CID 174859636
CID 174859636
CID 160566295
CID 160566295

Frequently Asked Questions

What is the IUPAC name of nickel(2+);quinoline;diiodide?
The IUPAC name of nickel(2+);quinoline;diiodide (CID 162206226) is nickel(2+);quinoline;diiodide.
What is the SMILES notation for nickel(2+);quinoline;diiodide?
The canonical SMILES for nickel(2+);quinoline;diiodide is [I-].[I-].[Ni+2].c1ccc2ncccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of nickel(2+);quinoline;diiodide?
The InChIKey is ZSFMECZYEKTXSH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7N.2HI.Ni/c2*1-2-6-9-8(4-1)5-3-7-10-9;;;/h2*1-7H;2*1H;/q;;;;+2/p-2.
What are the key properties of nickel(2+);quinoline;diiodide?
nickel(2+);quinoline;diiodide has a molecular weight of 570.83 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);quinoline;diiodide is sourced from PubChem (CID 162206226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).