bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate

C18H30N6O12Pd2 — CID 139158745

IUPACbis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate
SMILESNCCN.NCCN.O.O.O.O.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/2C7H5NO4.2C2H8N2.4H2O.2Pd/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;2*3-1-2-4;;;;;;/h2*1-3H,(H,9,10)(H,11,12);2*1-4H2;4*1H2;;/q;;;;;;;;2*+2/p-4
InChIKeyBNLWQWZWCMJMDE-UHFFFAOYSA-J
MW735.31 g/mol
LogP-9.88
Rot. Bonds6

About bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate

bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate (PubChem CID 139158745) has the molecular formula C18H30N6O12Pd2 and a molecular weight of 735.31 g/mol. Its IUPAC name is bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate.

Molecular Properties

Compound Namebis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate
PubChem CID139158745
Molecular FormulaC18H30N6O12Pd2
Molecular Weight735.31 g/mol
Exact Mass734.00
IUPAC Namebis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate
SMILESNCCN.NCCN.O.O.O.O.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/2C7H5NO4.2C2H8N2.4H2O.2Pd/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;2*3-1-2-4;;;;;;/h2*1-3H,(H,9,10)(H,11,12);2*1-4H2;4*1H2;;/q;;;;;;;;2*+2/p-4
InChIKeyBNLWQWZWCMJMDE-UHFFFAOYSA-J
XLogP-9.88
TPSA416.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.31
LogP ≤ 5-9.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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Related Compounds

2-aminopyridine-3-carboxylate
CID 4116530
tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)
CID 70528464
2-carboxypyridine-3-carboxylate;pyridin-1-ium-4-carboxamide
CID 139144662
diazanium;3-chloropyridine-2-carboxylate;ethanolate
CID 141333472
2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 6920825
dibismuth;phthalate;urea
CID 161346860
bis(prop-2-enyl) pyridine-2,3-dicarboxylate
CID 18947519
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
pyridine-2,3-dicarboxylic acid
CID 1066
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
copper;2-oxidobenzoate;2-pyridin-2-ylpyridine
CID 24944135
potassium 3-methoxypyridine-2-carboxylate
CID 159434407

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate?
The IUPAC name of bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate (CID 139158745) is bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate.
What is the SMILES notation for bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate?
The canonical SMILES for bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate is NCCN.NCCN.O.O.O.O.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Pd+2].[Pd+2].
What is the InChIKey of bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate?
The InChIKey is BNLWQWZWCMJMDE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H5NO4.2C2H8N2.4H2O.2Pd/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;2*3-1-2-4;;;;;;/h2*1-3H,(H,9,10)(H,11,12);2*1-4H2;4*1H2;;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate?
bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate has a molecular weight of 735.31 g/mol, XLogP of -9.88, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate is sourced from PubChem (CID 139158745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).