copper;iron;heptacyanide

C7CuFeN7-7 — CID 175220815

IUPACcopper;iron;heptacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu].[Fe]
InChIInChI=1S/7CN.Cu.Fe/c7*1-2;;/q7*-1;;
InChIKeyJLRRABUKZPRFNZ-UHFFFAOYSA-N
MW301.52 g/mol
LogP0.67
Rot. Bonds

About copper;iron;heptacyanide

copper;iron;heptacyanide (PubChem CID 175220815) has the molecular formula C7CuFeN7-7 and a molecular weight of 301.52 g/mol. Its IUPAC name is copper;iron;heptacyanide.

Molecular Properties

Compound Namecopper;iron;heptacyanide
PubChem CID175220815
Molecular FormulaC7CuFeN7-7
Molecular Weight301.52 g/mol
Exact Mass300.89
IUPAC Namecopper;iron;heptacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu].[Fe]
InChIInChI=1S/7CN.Cu.Fe/c7*1-2;;/q7*-1;;
InChIKeyJLRRABUKZPRFNZ-UHFFFAOYSA-N
XLogP0.67
TPSA166.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 88812666
disodium;hydride;iron;cyanide
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dipotassium;cobalt(2+);iron;hexacyanide
CID 170853485
CID 134877915
CID 134877915
iron;manganese;nickel;cyanide
CID 175608785
potassium;hydride;iron;zinc;cyanide
CID 173426971
potassium;hydride;iron;iron(6+);hexacyanide
CID 173004482
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CID 159591841

Frequently Asked Questions

What is the IUPAC name of copper;iron;heptacyanide?
The IUPAC name of copper;iron;heptacyanide (CID 175220815) is copper;iron;heptacyanide.
What is the SMILES notation for copper;iron;heptacyanide?
The canonical SMILES for copper;iron;heptacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu].[Fe].
What is the InChIKey of copper;iron;heptacyanide?
The InChIKey is JLRRABUKZPRFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/7CN.Cu.Fe/c7*1-2;;/q7*-1;;.
What are the key properties of copper;iron;heptacyanide?
copper;iron;heptacyanide has a molecular weight of 301.52 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;iron;heptacyanide is sourced from PubChem (CID 175220815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).