barium(2+);cobalt(2+);hydride;dinitrate

H2BaCoN2O6 — CID 174947052

IUPACbarium(2+);cobalt(2+);hydride;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2].[Co+2].[H-].[H-]
InChIInChI=1S/Ba.Co.2NO3.2H/c;;2*2-1(3)4;;/q2*+2;4*-1
InChIKeyLCEHSBWFEGIPLJ-UHFFFAOYSA-N
MW322.29 g/mol
LogP-0.64
Rot. Bonds

About barium(2+);cobalt(2+);hydride;dinitrate

barium(2+);cobalt(2+);hydride;dinitrate (PubChem CID 174947052) has the molecular formula H2BaCoN2O6 and a molecular weight of 322.29 g/mol. Its IUPAC name is barium(2+);cobalt(2+);hydride;dinitrate.

Molecular Properties

Compound Namebarium(2+);cobalt(2+);hydride;dinitrate
PubChem CID174947052
Molecular FormulaH2BaCoN2O6
Molecular Weight322.29 g/mol
Exact Mass322.83
IUPAC Namebarium(2+);cobalt(2+);hydride;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2].[Co+2].[H-].[H-]
InChIInChI=1S/Ba.Co.2NO3.2H/c;;2*2-1(3)4;;/q2*+2;4*-1
InChIKeyLCEHSBWFEGIPLJ-UHFFFAOYSA-N
XLogP-0.64
TPSA132.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);cobalt(2+);hydride;dinitrate?
The IUPAC name of barium(2+);cobalt(2+);hydride;dinitrate (CID 174947052) is barium(2+);cobalt(2+);hydride;dinitrate.
What is the SMILES notation for barium(2+);cobalt(2+);hydride;dinitrate?
The canonical SMILES for barium(2+);cobalt(2+);hydride;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2].[Co+2].[H-].[H-].
What is the InChIKey of barium(2+);cobalt(2+);hydride;dinitrate?
The InChIKey is LCEHSBWFEGIPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Co.2NO3.2H/c;;2*2-1(3)4;;/q2*+2;4*-1.
What are the key properties of barium(2+);cobalt(2+);hydride;dinitrate?
barium(2+);cobalt(2+);hydride;dinitrate has a molecular weight of 322.29 g/mol, XLogP of -0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);cobalt(2+);hydride;dinitrate is sourced from PubChem (CID 174947052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).