bromonickel;butane

C4H9BrNi- — CID 154443925

IUPACbromonickel;butane
SMILES[CH2-]CCC.[Ni]Br
InChIInChI=1S/C4H9.BrH.Ni/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+1/p-1
InChIKeyRDXOZKUEIXPPHO-UHFFFAOYSA-M
MW195.71 g/mol
LogP2.46
Rot. Bonds1

About bromonickel;butane

bromonickel;butane (PubChem CID 154443925) has the molecular formula C4H9BrNi- and a molecular weight of 195.71 g/mol. Its IUPAC name is bromonickel;butane.

Molecular Properties

Compound Namebromonickel;butane
PubChem CID154443925
Molecular FormulaC4H9BrNi-
Molecular Weight195.71 g/mol
Exact Mass193.92
IUPAC Namebromonickel;butane
SMILES[CH2-]CCC.[Ni]Br
InChIInChI=1S/C4H9.BrH.Ni/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+1/p-1
InChIKeyRDXOZKUEIXPPHO-UHFFFAOYSA-M
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 59203345
potassium;butane;trihydrofluoride
CID 175562651
butane;rhodium(3+);hydrochloride
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CID 154094622
magnesium;butane;chloride
CID 6101660
butane;carbanide;tungsten(2+);yttrium
CID 167712375

Frequently Asked Questions

What is the IUPAC name of bromonickel;butane?
The IUPAC name of bromonickel;butane (CID 154443925) is bromonickel;butane.
What is the SMILES notation for bromonickel;butane?
The canonical SMILES for bromonickel;butane is [CH2-]CCC.[Ni]Br.
What is the InChIKey of bromonickel;butane?
The InChIKey is RDXOZKUEIXPPHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.BrH.Ni/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+1/p-1.
What are the key properties of bromonickel;butane?
bromonickel;butane has a molecular weight of 195.71 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromonickel;butane is sourced from PubChem (CID 154443925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).