azanide;2-chloroacetate;cobalt(3+);nitric acid

C2H13ClCoN6O5-3 — CID 54603513

IUPACazanide;2-chloroacetate;cobalt(3+);nitric acid
SMILESO=C([O-])CCl.O=[N+]([O-])O.[Co+3].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C2H3ClO2.Co.HNO3.5H2N/c3-1-2(4)5;;2-1(3)4;;;;;/h1H2,(H,4,5);;(H,2,3,4);5*1H2/q;+3;;5*-1/p-1
InChIKeyHEKHKWBWRSFUPW-UHFFFAOYSA-M
MW295.55 g/mol
LogP2.21
Rot. Bonds1

About azanide;2-chloroacetate;cobalt(3+);nitric acid

azanide;2-chloroacetate;cobalt(3+);nitric acid (PubChem CID 54603513) has the molecular formula C2H13ClCoN6O5-3 and a molecular weight of 295.55 g/mol. Its IUPAC name is azanide;2-chloroacetate;cobalt(3+);nitric acid.

Molecular Properties

Compound Nameazanide;2-chloroacetate;cobalt(3+);nitric acid
PubChem CID54603513
Molecular FormulaC2H13ClCoN6O5-3
Molecular Weight295.55 g/mol
Exact Mass295.00
IUPAC Nameazanide;2-chloroacetate;cobalt(3+);nitric acid
SMILESO=C([O-])CCl.O=[N+]([O-])O.[Co+3].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C2H3ClO2.Co.HNO3.5H2N/c3-1-2(4)5;;2-1(3)4;;;;;/h1H2,(H,4,5);;(H,2,3,4);5*1H2/q;+3;;5*-1/p-1
InChIKeyHEKHKWBWRSFUPW-UHFFFAOYSA-M
XLogP2.21
TPSA271.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

beryllium bis(2-chloroacetate)
CID 146405283
tris(2-chloroacetate);iron(3+)
CID 54761770
potassium;sodium;bis(2-chloroacetate)
CID 157286926
magnesium;2-chloroacetate;chloride
CID 18003403
sodium;2-chloroacetate;1,4-dinitrobenzene
CID 88733321
nitric acid;bis(ruthenium(3+));hexaacetate
CID 172717903
azanide;nitric acid;palladium
CID 173037538
CID 174857565
CID 174857565
copper(1+);dichlorocopper;nitric acid;acetate
CID 174897354
beryllium;hydride;nitric acid;trihydrate
CID 173051038
CID 173119618
CID 173119618
azane;tetrakis(nitric acid)
CID 173388272

Frequently Asked Questions

What is the IUPAC name of azanide;2-chloroacetate;cobalt(3+);nitric acid?
The IUPAC name of azanide;2-chloroacetate;cobalt(3+);nitric acid (CID 54603513) is azanide;2-chloroacetate;cobalt(3+);nitric acid.
What is the SMILES notation for azanide;2-chloroacetate;cobalt(3+);nitric acid?
The canonical SMILES for azanide;2-chloroacetate;cobalt(3+);nitric acid is O=C([O-])CCl.O=[N+]([O-])O.[Co+3].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;2-chloroacetate;cobalt(3+);nitric acid?
The InChIKey is HEKHKWBWRSFUPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3ClO2.Co.HNO3.5H2N/c3-1-2(4)5;;2-1(3)4;;;;;/h1H2,(H,4,5);;(H,2,3,4);5*1H2/q;+3;;5*-1/p-1.
What are the key properties of azanide;2-chloroacetate;cobalt(3+);nitric acid?
azanide;2-chloroacetate;cobalt(3+);nitric acid has a molecular weight of 295.55 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;2-chloroacetate;cobalt(3+);nitric acid is sourced from PubChem (CID 54603513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).