bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate

C32H26F6N4O6Pd2 — CID 121225899

IUPACbis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C([N-]Cc1ccccc1C(F)(F)F)c1ccccn1.O=C([N-]Cc1ccccc1C(F)(F)F)c1ccccn1.[Pd+2].[Pd+2]
InChIInChI=1S/2C14H11F3N2O.2C2H4O2.2Pd/c2*15-14(16,17)11-6-2-1-5-10(11)9-19-13(20)12-7-3-4-8-18-12;2*1-2(3)4;;/h2*1-8H,9H2,(H,19,20);2*1H3,(H,3,4);;/q;;;;2*+2/p-4
InChIKeyOSGGJYITKAQYOD-UHFFFAOYSA-J
MW889.41 g/mol
LogP5.14
Rot. Bonds6

About bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate

bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate (PubChem CID 121225899) has the molecular formula C32H26F6N4O6Pd2 and a molecular weight of 889.41 g/mol. Its IUPAC name is bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate.

Molecular Properties

Compound Namebis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate
PubChem CID121225899
Molecular FormulaC32H26F6N4O6Pd2
Molecular Weight889.41 g/mol
Exact Mass887.98
IUPAC Namebis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C([N-]Cc1ccccc1C(F)(F)F)c1ccccn1.O=C([N-]Cc1ccccc1C(F)(F)F)c1ccccn1.[Pd+2].[Pd+2]
InChIInChI=1S/2C14H11F3N2O.2C2H4O2.2Pd/c2*15-14(16,17)11-6-2-1-5-10(11)9-19-13(20)12-7-3-4-8-18-12;2*1-2(3)4;;/h2*1-8H,9H2,(H,19,20);2*1H3,(H,3,4);;/q;;;;2*+2/p-4
InChIKeyOSGGJYITKAQYOD-UHFFFAOYSA-J
XLogP5.14
TPSA168.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

US11459339, Example 14
CID 139375280
(2S)-1-[(2S)-1-(2-methylbenzoyl)pyrrolidine-2-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53300873
1-{1-[(2-Methylphenyl)methyl]-4-(pyridin-4-YL)-1H-pyrrole-2-carbonyl}-4-phenylpiperazine
CID 71840994
(4-cyclohexylpiperazino)[1-(2-methylbenzyl)-4-(4-pyridyl)-1H-pyrrol-2-yl]methanone
CID 71840996
(SP-4-4)-[N-[Phenyl[2-[[(2-pyridinyl-I masculineN)carbonyl]amino-I masculineN]phenyl]methylene]glycinato(2-)-I masculineN,I masculineO]nickel
CID 170900888
(2,2'-Dipyridyl-N,N')bis(1,1,1-trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)
CID 139056918
dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139144016
erbium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139200635
[1-[(2-Methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53159775
2-[1-[1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134800100
[3-[4-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 10395048
4-[alpha-(2-Pyridyl)-4-fluorobenzyl]-1-(2-phthalimidoethyl)piperazine
CID 19370382

Frequently Asked Questions

What is the IUPAC name of bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate?
The IUPAC name of bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate (CID 121225899) is bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate.
What is the SMILES notation for bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate?
The canonical SMILES for bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate is CC(=O)[O-].CC(=O)[O-].O=C([N-]Cc1ccccc1C(F)(F)F)c1ccccn1.O=C([N-]Cc1ccccc1C(F)(F)F)c1ccccn1.[Pd+2].[Pd+2].
What is the InChIKey of bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate?
The InChIKey is OSGGJYITKAQYOD-UHFFFAOYSA-J. The full InChI is InChI=1S/2C14H11F3N2O.2C2H4O2.2Pd/c2*15-14(16,17)11-6-2-1-5-10(11)9-19-13(20)12-7-3-4-8-18-12;2*1-2(3)4;;/h2*1-8H,9H2,(H,19,20);2*1H3,(H,3,4);;/q;;;;2*+2/p-4.
What are the key properties of bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate?
bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate has a molecular weight of 889.41 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate is sourced from PubChem (CID 121225899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).