bismuth;cobalt(2+);iron(2+);heptanitrate

BiCoFeN7O21 — CID 131723207

IUPACbismuth;cobalt(2+);iron(2+);heptanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Co+2].[Fe+2]
InChIInChI=1S/Bi.Co.Fe.7NO3/c;;;7*2-1(3)4/q+3;2*+2;7*-1
InChIKeyLYYSHMHFXQJSDP-UHFFFAOYSA-N
MW757.79 g/mol
LogP-2.06
Rot. Bonds

About bismuth;cobalt(2+);iron(2+);heptanitrate

bismuth;cobalt(2+);iron(2+);heptanitrate (PubChem CID 131723207) has the molecular formula BiCoFeN7O21 and a molecular weight of 757.79 g/mol. Its IUPAC name is bismuth;cobalt(2+);iron(2+);heptanitrate.

Molecular Properties

Compound Namebismuth;cobalt(2+);iron(2+);heptanitrate
PubChem CID131723207
Molecular FormulaBiCoFeN7O21
Molecular Weight757.79 g/mol
Exact Mass757.76
IUPAC Namebismuth;cobalt(2+);iron(2+);heptanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Co+2].[Fe+2]
InChIInChI=1S/Bi.Co.Fe.7NO3/c;;;7*2-1(3)4/q+3;2*+2;7*-1
InChIKeyLYYSHMHFXQJSDP-UHFFFAOYSA-N
XLogP-2.06
TPSA463.40 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.79
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;cobalt(2+);tetranitrate
CID 160967915
zinc;iron(2+);tetranitrate
CID 160508413
lithium;cobalt(2+);trinitrate
CID 157062811
iron(2+);neodymium(3+);pentanitrate
CID 161062059
dibismuth;hexanitrate;pentahydrate
CID 158893805
sodium;iron(2+);trinitrate
CID 160556784
bismuth;calcium;pentanitrate
CID 160831581
barium(2+);cobalt(2+);hydride;dinitrate
CID 174947052
cobalt(2+);iron(2+);nitrate;sulfate
CID 159299731
tetrakis(lanthanum(3+));trinitrate
CID 19804472
aluminum trinitrate
CID 26053
platinum pentanitrate
CID 173027999

Frequently Asked Questions

What is the IUPAC name of bismuth;cobalt(2+);iron(2+);heptanitrate?
The IUPAC name of bismuth;cobalt(2+);iron(2+);heptanitrate (CID 131723207) is bismuth;cobalt(2+);iron(2+);heptanitrate.
What is the SMILES notation for bismuth;cobalt(2+);iron(2+);heptanitrate?
The canonical SMILES for bismuth;cobalt(2+);iron(2+);heptanitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Co+2].[Fe+2].
What is the InChIKey of bismuth;cobalt(2+);iron(2+);heptanitrate?
The InChIKey is LYYSHMHFXQJSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/Bi.Co.Fe.7NO3/c;;;7*2-1(3)4/q+3;2*+2;7*-1.
What are the key properties of bismuth;cobalt(2+);iron(2+);heptanitrate?
bismuth;cobalt(2+);iron(2+);heptanitrate has a molecular weight of 757.79 g/mol, XLogP of -2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;cobalt(2+);iron(2+);heptanitrate is sourced from PubChem (CID 131723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).