dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate

C28H28Cu2I4N4O10 — CID 139070149

IUPACdicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
SMILESO.O.O=C([O-])CI.O=C([O-])CI.O=C([O-])CI.O=C([O-])CI.[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4C2H3IO2.2Cu.2H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*3-1-2(4)5;;;;/h2*1-8H;4*1H2,(H,4,5);;;2*1H2/q;;;;;;2*+2;;/p-4
InChIKeyBXHUPHQYNQHKGP-UHFFFAOYSA-J
MW1215.26 g/mol
LogP-0.68
Rot. Bonds6

About dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate

dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate (PubChem CID 139070149) has the molecular formula C28H28Cu2I4N4O10 and a molecular weight of 1215.26 g/mol. Its IUPAC name is dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate.

Molecular Properties

Compound Namedicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
PubChem CID139070149
Molecular FormulaC28H28Cu2I4N4O10
Molecular Weight1215.26 g/mol
Exact Mass1213.66
IUPAC Namedicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
SMILESO.O.O=C([O-])CI.O=C([O-])CI.O=C([O-])CI.O=C([O-])CI.[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4C2H3IO2.2Cu.2H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*3-1-2(4)5;;;;/h2*1-8H;4*1H2,(H,4,5);;;2*1H2/q;;;;;;2*+2;;/p-4
InChIKeyBXHUPHQYNQHKGP-UHFFFAOYSA-J
XLogP-0.68
TPSA275.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 139207056
2-pyridin-2-ylpyridine;ruthenium(2+)
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CID 139075709
dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
CID 139126662
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
copper;2-oxidobenzoate;2-pyridin-2-ylpyridine
CID 24944135
cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate
CID 175778611
ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
CID 139080605
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
CID 154729977
hexaoxidanium;tetrakis(2-oxidobenzoate);tetrakis(2-pyridin-2-ylpyridine);zinc;tetrahydrate
CID 139059413
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate?
The IUPAC name of dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate (CID 139070149) is dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate.
What is the SMILES notation for dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate?
The canonical SMILES for dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate is O.O.O=C([O-])CI.O=C([O-])CI.O=C([O-])CI.O=C([O-])CI.[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate?
The InChIKey is BXHUPHQYNQHKGP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.4C2H3IO2.2Cu.2H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*3-1-2(4)5;;;;/h2*1-8H;4*1H2,(H,4,5);;;2*1H2/q;;;;;;2*+2;;/p-4.
What are the key properties of dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate?
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate has a molecular weight of 1215.26 g/mol, XLogP of -0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate is sourced from PubChem (CID 139070149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).