palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate

C26H22B2F8N10Pd — CID 139135877

IUPACpalladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.c1ccc(Cn2cc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C13H11N5.2BF4.Pd/c2*1-3-7-14-11(5-1)9-18-10-13(16-17-18)12-6-2-4-8-15-12;2*2-1(3,4)5;/h2*1-8,10H,9H2;;;/q;;2*-1;+2
InChIKeyQAAAJCYQPNGDAK-UHFFFAOYSA-N
MW754.56 g/mol
LogP6.16
Rot. Bonds6

About palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate

palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate (PubChem CID 139135877) has the molecular formula C26H22B2F8N10Pd and a molecular weight of 754.56 g/mol. Its IUPAC name is palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate.

Molecular Properties

Compound Namepalladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate
PubChem CID139135877
Molecular FormulaC26H22B2F8N10Pd
Molecular Weight754.56 g/mol
Exact Mass754.11
IUPAC Namepalladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.c1ccc(Cn2cc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C13H11N5.2BF4.Pd/c2*1-3-7-14-11(5-1)9-18-10-13(16-17-18)12-6-2-4-8-15-12;2*2-1(3,4)5;/h2*1-8,10H,9H2;;;/q;;2*-1;+2
InChIKeyQAAAJCYQPNGDAK-UHFFFAOYSA-N
XLogP6.16
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.56
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));bis(pyrazol-1-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772380
Bis(3,5-dimethylpyrazol-1-ide);2-(3-fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772381
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 57796219
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
2-(5-Methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510491

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate?
The IUPAC name of palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate (CID 139135877) is palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate.
What is the SMILES notation for palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate?
The canonical SMILES for palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.
What is the InChIKey of palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate?
The InChIKey is QAAAJCYQPNGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11N5.2BF4.Pd/c2*1-3-7-14-11(5-1)9-18-10-13(16-17-18)12-6-2-4-8-15-12;2*2-1(3,4)5;/h2*1-8,10H,9H2;;;/q;;2*-1;+2.
What are the key properties of palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate?
palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate has a molecular weight of 754.56 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);ditetrafluoroborate is sourced from PubChem (CID 139135877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).