dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)

C20H20Cu2N4O12P4 — CID 139152529

IUPACdicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
SMILESO=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.[Cu+2].[Cu+2]
InChIInChI=1S/4C5H6NO3P.2Cu/c4*7-10(8,9)5-3-1-2-4-6-5;;/h4*1-4H,(H2,7,8,9);;/q;;;;2*+2/p-4
InChIKeyZQJGFLDTTXSNAL-UHFFFAOYSA-J
MW759.38 g/mol
LogP-2.99
Rot. Bonds4

About dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)

dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) (PubChem CID 139152529) has the molecular formula C20H20Cu2N4O12P4 and a molecular weight of 759.38 g/mol. Its IUPAC name is dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate).

Molecular Properties

Compound Namedicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
PubChem CID139152529
Molecular FormulaC20H20Cu2N4O12P4
Molecular Weight759.38 g/mol
Exact Mass757.86
IUPAC Namedicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
SMILESO=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.[Cu+2].[Cu+2]
InChIInChI=1S/4C5H6NO3P.2Cu/c4*7-10(8,9)5-3-1-2-4-6-5;;/h4*1-4H,(H2,7,8,9);;/q;;;;2*+2/p-4
InChIKeyZQJGFLDTTXSNAL-UHFFFAOYSA-J
XLogP-2.99
TPSA293.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.38
LogP ≤ 5-2.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphorylpyridine
CID 3496437
2-[methylsulfanyl(phenyl)phosphoryl]pyridine
CID 166659297
1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
CID 20634527
dihydrogen phosphate;2-(2-pyridin-1-ium-1-ylethyl)pyridine
CID 24844771
1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
CID 20634519
[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid
CID 91127748
copper;[3-azaniumyl-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate;2-pyridin-2-ylpyridine;chloride;trihydrate
CID 139146646
2-dinaphthalen-1-ylphosphorylpyridine
CID 4586108
2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine
CID 20634532
[phosphono(pyridin-2-yl)methyl]azanium chloride
CID 10727876
tetrasodium;1,1-diphosphonato-2-pyridin-2-ylethanol
CID 172750109
copper(1+);dichloromethane;2-dipyridin-2-ylphosphorylpyridine;isothiocyanate
CID 139177598

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?
The IUPAC name of dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) (CID 139152529) is dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate).
What is the SMILES notation for dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?
The canonical SMILES for dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) is O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?
The InChIKey is ZQJGFLDTTXSNAL-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H6NO3P.2Cu/c4*7-10(8,9)5-3-1-2-4-6-5;;/h4*1-4H,(H2,7,8,9);;/q;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?
dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) has a molecular weight of 759.38 g/mol, XLogP of -2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) is sourced from PubChem (CID 139152529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).