bis(benzonitrile);dibromonickel

C14H10Br2N2Ni — CID 22599309

IUPACbis(benzonitrile);dibromonickel
SMILESBr[Ni]Br.N#Cc1ccccc1.N#Cc1ccccc1
InChIInChI=1S/2C7H5N.2BrH.Ni/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKeyPUINFQOEFDQNEB-UHFFFAOYSA-L
MW424.75 g/mol
LogP4.81
Rot. Bonds

About bis(benzonitrile);dibromonickel

bis(benzonitrile);dibromonickel (PubChem CID 22599309) has the molecular formula C14H10Br2N2Ni and a molecular weight of 424.75 g/mol. Its IUPAC name is bis(benzonitrile);dibromonickel.

Molecular Properties

Compound Namebis(benzonitrile);dibromonickel
PubChem CID22599309
Molecular FormulaC14H10Br2N2Ni
Molecular Weight424.75 g/mol
Exact Mass421.86
IUPAC Namebis(benzonitrile);dibromonickel
SMILESBr[Ni]Br.N#Cc1ccccc1.N#Cc1ccccc1
InChIInChI=1S/2C7H5N.2BrH.Ni/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKeyPUINFQOEFDQNEB-UHFFFAOYSA-L
XLogP4.81
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.75
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(14N)benzonitrile
CID 102268532
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
benzonitrile;hypoiodous acid
CID 174504508
sodium;benzonitrile;ethane
CID 174741528
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
sodium;benzonitrile;azide
CID 158967715
CID 134881879
CID 134881879
benzonitrile;sulfamide
CID 159924446
acetaldehyde;benzonitrile;hydrate
CID 174391399

Frequently Asked Questions

What is the IUPAC name of bis(benzonitrile);dibromonickel?
The IUPAC name of bis(benzonitrile);dibromonickel (CID 22599309) is bis(benzonitrile);dibromonickel.
What is the SMILES notation for bis(benzonitrile);dibromonickel?
The canonical SMILES for bis(benzonitrile);dibromonickel is Br[Ni]Br.N#Cc1ccccc1.N#Cc1ccccc1.
What is the InChIKey of bis(benzonitrile);dibromonickel?
The InChIKey is PUINFQOEFDQNEB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5N.2BrH.Ni/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(benzonitrile);dibromonickel?
bis(benzonitrile);dibromonickel has a molecular weight of 424.75 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzonitrile);dibromonickel is sourced from PubChem (CID 22599309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).