dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate

C28H18CrCu2KN4O17 — CID 139174890

IUPACdicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+3].[Cu+2].[Cu+2].[K+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4C2H2O4.Cr.2Cu.K.H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*3-1(4)2(5)6;;;;;/h2*1-8H;4*(H,3,4)(H,5,6);;;;;1H2/q;;;;;;+3;2*+2;+1;/p-8
InChIKeyGSSRCRDQDKTGFV-UHFFFAOYSA-F
MW900.65 g/mol
LogP-13.60
Rot. Bonds2

About dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate

dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate (PubChem CID 139174890) has the molecular formula C28H18CrCu2KN4O17 and a molecular weight of 900.65 g/mol. Its IUPAC name is dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate.

Molecular Properties

Compound Namedicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate
PubChem CID139174890
Molecular FormulaC28H18CrCu2KN4O17
Molecular Weight900.65 g/mol
Exact Mass898.83
IUPAC Namedicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+3].[Cu+2].[Cu+2].[K+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4C2H2O4.Cr.2Cu.K.H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*3-1(4)2(5)6;;;;;/h2*1-8H;4*(H,3,4)(H,5,6);;;;;1H2/q;;;;;;+3;2*+2;+1;/p-8
InChIKeyGSSRCRDQDKTGFV-UHFFFAOYSA-F
XLogP-13.60
TPSA404.10 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.65
LogP ≤ 5-13.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate?
The IUPAC name of dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate (CID 139174890) is dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate.
What is the SMILES notation for dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate?
The canonical SMILES for dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate is O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Cr+3].[Cu+2].[Cu+2].[K+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate?
The InChIKey is GSSRCRDQDKTGFV-UHFFFAOYSA-F. The full InChI is InChI=1S/2C10H8N2.4C2H2O4.Cr.2Cu.K.H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*3-1(4)2(5)6;;;;;/h2*1-8H;4*(H,3,4)(H,5,6);;;;;1H2/q;;;;;;+3;2*+2;+1;/p-8.
What are the key properties of dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate?
dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate has a molecular weight of 900.65 g/mol, XLogP of -13.60, 2 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;potassium;chromium(3+);oxalate;bis(2-pyridin-2-ylpyridine);hydrate is sourced from PubChem (CID 139174890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).