carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide

C4H14Br2NiO2 — CID 163342067

IUPACcarbanide;ethane-1,2-diol;nickel(2+);dihydrobromide
SMILESBr.Br.OCCO.[CH3-].[CH3-].[Ni+2]
InChIInChI=1S/C2H6O2.2CH3.2BrH.Ni/c3-1-2-4;;;;;/h3-4H,1-2H2;2*1H3;2*1H;/q;2*-1;;;+2
InChIKeyWKKGZWDTHOHXDV-UHFFFAOYSA-N
MW312.66 g/mol
LogP1.02
Rot. Bonds1

About carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide

carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide (PubChem CID 163342067) has the molecular formula C4H14Br2NiO2 and a molecular weight of 312.66 g/mol. Its IUPAC name is carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide.

Molecular Properties

Compound Namecarbanide;ethane-1,2-diol;nickel(2+);dihydrobromide
PubChem CID163342067
Molecular FormulaC4H14Br2NiO2
Molecular Weight312.66 g/mol
Exact Mass309.87
IUPAC Namecarbanide;ethane-1,2-diol;nickel(2+);dihydrobromide
SMILESBr.Br.OCCO.[CH3-].[CH3-].[Ni+2]
InChIInChI=1S/C2H6O2.2CH3.2BrH.Ni/c3-1-2-4;;;;;/h3-4H,1-2H2;2*1H3;2*1H;/q;2*-1;;;+2
InChIKeyWKKGZWDTHOHXDV-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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magnesium;ethane-1,2-diol;oxygen(2-)
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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide?
The IUPAC name of carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide (CID 163342067) is carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide.
What is the SMILES notation for carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide?
The canonical SMILES for carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide is Br.Br.OCCO.[CH3-].[CH3-].[Ni+2].
What is the InChIKey of carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide?
The InChIKey is WKKGZWDTHOHXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.2CH3.2BrH.Ni/c3-1-2-4;;;;;/h3-4H,1-2H2;2*1H3;2*1H;/q;2*-1;;;+2.
What are the key properties of carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide?
carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide has a molecular weight of 312.66 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane-1,2-diol;nickel(2+);dihydrobromide is sourced from PubChem (CID 163342067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).