palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)

C16H12N6Pd — CID 139056007

IUPACpalladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)
SMILES[Pd+2].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2ccn[n-]2)nc1
InChIInChI=1S/2C8H6N3.Pd/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;/h2*1-6H;/q2*-1;+2
InChIKeyFAGDJVBTZCLJBA-UHFFFAOYSA-N
MW394.73 g/mol
LogP2.20
Rot. Bonds2

About palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)

palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine) (PubChem CID 139056007) has the molecular formula C16H12N6Pd and a molecular weight of 394.73 g/mol. Its IUPAC name is palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine).

Molecular Properties

Compound Namepalladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)
PubChem CID139056007
Molecular FormulaC16H12N6Pd
Molecular Weight394.73 g/mol
Exact Mass394.02
IUPAC Namepalladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)
SMILES[Pd+2].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2ccn[n-]2)nc1
InChIInChI=1S/2C8H6N3.Pd/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;/h2*1-6H;/q2*-1;+2
InChIKeyFAGDJVBTZCLJBA-UHFFFAOYSA-N
XLogP2.20
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
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
bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
CID 139141458
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
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
manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)
CID 139167154
Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168354058
2-Pyridin-2-ylpyrazolo[1,5-a]pyridine
CID 23469394
Tris(3-pyridin-2-ylpyrazol-1-yl)borane
CID 70902506
CID 70902535
CID 70902535

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)?
The IUPAC name of palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine) (CID 139056007) is palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine).
What is the SMILES notation for palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)?
The canonical SMILES for palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine) is [Pd+2].c1ccc(-c2ccn[n-]2)nc1.c1ccc(-c2ccn[n-]2)nc1.
What is the InChIKey of palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)?
The InChIKey is FAGDJVBTZCLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6N3.Pd/c2*1-2-5-9-7(3-1)8-4-6-10-11-8;/h2*1-6H;/q2*-1;+2.
What are the key properties of palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine)?
palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine) has a molecular weight of 394.73 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(2-pyrazol-2-id-3-ylpyridine) is sourced from PubChem (CID 139056007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).