cobalt(2+);methanol;dinitrate

CH4CoN2O7 — CID 159896779

IUPACcobalt(2+);methanol;dinitrate
SMILESCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2]
InChIInChI=1S/CH4O.Co.2NO3/c1-2;;2*2-1(3)4/h2H,1H3;;;/q;+2;2*-1
InChIKeyNVLDSCWHEUSPCV-UHFFFAOYSA-N
MW214.98 g/mol
LogP-0.87
Rot. Bonds

About cobalt(2+);methanol;dinitrate

cobalt(2+);methanol;dinitrate (PubChem CID 159896779) has the molecular formula CH4CoN2O7 and a molecular weight of 214.98 g/mol. Its IUPAC name is cobalt(2+);methanol;dinitrate.

Molecular Properties

Compound Namecobalt(2+);methanol;dinitrate
PubChem CID159896779
Molecular FormulaCH4CoN2O7
Molecular Weight214.98 g/mol
Exact Mass214.94
IUPAC Namecobalt(2+);methanol;dinitrate
SMILESCO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2]
InChIInChI=1S/CH4O.Co.2NO3/c1-2;;2*2-1(3)4/h2H,1H3;;;/q;+2;2*-1
InChIKeyNVLDSCWHEUSPCV-UHFFFAOYSA-N
XLogP-0.87
TPSA152.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.98
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 cobalt(2+);methanol;dinitrate?
The IUPAC name of cobalt(2+);methanol;dinitrate (CID 159896779) is cobalt(2+);methanol;dinitrate.
What is the SMILES notation for cobalt(2+);methanol;dinitrate?
The canonical SMILES for cobalt(2+);methanol;dinitrate is CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+2].
What is the InChIKey of cobalt(2+);methanol;dinitrate?
The InChIKey is NVLDSCWHEUSPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.Co.2NO3/c1-2;;2*2-1(3)4/h2H,1H3;;;/q;+2;2*-1.
What are the key properties of cobalt(2+);methanol;dinitrate?
cobalt(2+);methanol;dinitrate has a molecular weight of 214.98 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);methanol;dinitrate is sourced from PubChem (CID 159896779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).