palladium;tetrakis(pyridine-2-carboxylate);dihydrate

C24H20N4O10Pd-4 — CID 139077657

IUPACpalladium;tetrakis(pyridine-2-carboxylate);dihydrate
SMILESO.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Pd]
InChIInChI=1S/4C6H5NO2.2H2O.Pd/c4*8-6(9)5-3-1-2-4-7-5;;;/h4*1-4H,(H,8,9);2*1H2;/p-4
InChIKeyWDYISPALINKFHN-UHFFFAOYSA-J
MW630.86 g/mol
LogP-3.87
Rot. Bonds4

About palladium;tetrakis(pyridine-2-carboxylate);dihydrate

palladium;tetrakis(pyridine-2-carboxylate);dihydrate (PubChem CID 139077657) has the molecular formula C24H20N4O10Pd-4 and a molecular weight of 630.86 g/mol. Its IUPAC name is palladium;tetrakis(pyridine-2-carboxylate);dihydrate.

Molecular Properties

Compound Namepalladium;tetrakis(pyridine-2-carboxylate);dihydrate
PubChem CID139077657
Molecular FormulaC24H20N4O10Pd-4
Molecular Weight630.86 g/mol
Exact Mass630.02
IUPAC Namepalladium;tetrakis(pyridine-2-carboxylate);dihydrate
SMILESO.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Pd]
InChIInChI=1S/4C6H5NO2.2H2O.Pd/c4*8-6(9)5-3-1-2-4-7-5;;;/h4*1-4H,(H,8,9);2*1H2;/p-4
InChIKeyWDYISPALINKFHN-UHFFFAOYSA-J
XLogP-3.87
TPSA275.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.86
LogP ≤ 5-3.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

Chromium(III) picolinate
CID 151932
Zinc Picolinate
CID 9904746
Chromium tripicolinate
CID 56840998
Chromium picolinate monohydrate
CID 22833491
Bis(2-(4,6-difluorophenyl)pyridinato-C2,N)(picolinato)iridium(III)
CID 71306701
Copper(II) picolinate
CID 14963587
Iron(2+) dipyridine-2-carboxylate
CID 57376973
Calcium dipicolinate trihydrate
CID 129655055
Ferric picolinate
CID 11247217
Pyridine-2-carboxylic anhydride
CID 85608
tris(picolinato)manganese(II)
CID 163710
Pyridine-2-carboxylate;silver
CID 13898161

Frequently Asked Questions

What is the IUPAC name of palladium;tetrakis(pyridine-2-carboxylate);dihydrate?
The IUPAC name of palladium;tetrakis(pyridine-2-carboxylate);dihydrate (CID 139077657) is palladium;tetrakis(pyridine-2-carboxylate);dihydrate.
What is the SMILES notation for palladium;tetrakis(pyridine-2-carboxylate);dihydrate?
The canonical SMILES for palladium;tetrakis(pyridine-2-carboxylate);dihydrate is O.O.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Pd].
What is the InChIKey of palladium;tetrakis(pyridine-2-carboxylate);dihydrate?
The InChIKey is WDYISPALINKFHN-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H5NO2.2H2O.Pd/c4*8-6(9)5-3-1-2-4-7-5;;;/h4*1-4H,(H,8,9);2*1H2;/p-4.
What are the key properties of palladium;tetrakis(pyridine-2-carboxylate);dihydrate?
palladium;tetrakis(pyridine-2-carboxylate);dihydrate has a molecular weight of 630.86 g/mol, XLogP of -3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for palladium;tetrakis(pyridine-2-carboxylate);dihydrate is sourced from PubChem (CID 139077657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).