copper;2,4-dibromobenzonitrile;dicyanide

C9H3Br2CuN3 — CID 162195305

IUPACcopper;2,4-dibromobenzonitrile;dicyanide
SMILESN#Cc1ccc(Br)cc1Br.[C-]#N.[C-]#N.[Cu+2]
InChIInChI=1S/C7H3Br2N.2CN.Cu/c8-6-2-1-5(4-10)7(9)3-6;2*1-2;/h1-3H;;;/q;2*-1;+2
InChIKeyNEGIBQVDPHKFIJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.27
Rot. Bonds

About copper;2,4-dibromobenzonitrile;dicyanide

copper;2,4-dibromobenzonitrile;dicyanide (PubChem CID 162195305) has the molecular formula C9H3Br2CuN3 and a molecular weight of 376.50 g/mol. Its IUPAC name is copper;2,4-dibromobenzonitrile;dicyanide.

Molecular Properties

Compound Namecopper;2,4-dibromobenzonitrile;dicyanide
PubChem CID162195305
Molecular FormulaC9H3Br2CuN3
Molecular Weight376.50 g/mol
Exact Mass373.80
IUPAC Namecopper;2,4-dibromobenzonitrile;dicyanide
SMILESN#Cc1ccc(Br)cc1Br.[C-]#N.[C-]#N.[Cu+2]
InChIInChI=1S/C7H3Br2N.2CN.Cu/c8-6-2-1-5(4-10)7(9)3-6;2*1-2;/h1-3H;;;/q;2*-1;+2
InChIKeyNEGIBQVDPHKFIJ-UHFFFAOYSA-N
XLogP3.27
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70106484
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435
6-bromonaphthalene-2,3-dicarbonitrile
CID 784710
2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
CID 107277110
5-bromo-2-isocyanobenzonitrile
CID 84674771
4-bromo-2-(methylamino)benzonitrile
CID 24903089
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
4-bromo-2-[(1R)-1-bromoethyl]benzonitrile
CID 125469489
4-bromo-2-cyclopropylbenzonitrile
CID 66520958
5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
2,4,5-tribromobenzonitrile
CID 119003034
2-bromo-4-propoxybenzonitrile
CID 104573953

Frequently Asked Questions

What is the IUPAC name of copper;2,4-dibromobenzonitrile;dicyanide?
The IUPAC name of copper;2,4-dibromobenzonitrile;dicyanide (CID 162195305) is copper;2,4-dibromobenzonitrile;dicyanide.
What is the SMILES notation for copper;2,4-dibromobenzonitrile;dicyanide?
The canonical SMILES for copper;2,4-dibromobenzonitrile;dicyanide is N#Cc1ccc(Br)cc1Br.[C-]#N.[C-]#N.[Cu+2].
What is the InChIKey of copper;2,4-dibromobenzonitrile;dicyanide?
The InChIKey is NEGIBQVDPHKFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N.2CN.Cu/c8-6-2-1-5(4-10)7(9)3-6;2*1-2;/h1-3H;;;/q;2*-1;+2.
What are the key properties of copper;2,4-dibromobenzonitrile;dicyanide?
copper;2,4-dibromobenzonitrile;dicyanide has a molecular weight of 376.50 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,4-dibromobenzonitrile;dicyanide is sourced from PubChem (CID 162195305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).