iodopalladium(1+);phenol;2-pyridin-2-ylpyridine

C16H13IN2OPd — CID 54678898

IUPACiodopalladium(1+);phenol;2-pyridin-2-ylpyridine
SMILESOc1[c-]cccc1.[Pd+]I.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C6H5O.HI.Pd/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-6-4-2-1-3-5-6;;/h1-8H;1-4,7H;1H;/q;-1;;+2/p-1
InChIKeyFVZCWGKPNNNQAM-UHFFFAOYSA-M
MW482.62 g/mol
LogP4.22
Rot. Bonds1

About iodopalladium(1+);phenol;2-pyridin-2-ylpyridine

iodopalladium(1+);phenol;2-pyridin-2-ylpyridine (PubChem CID 54678898) has the molecular formula C16H13IN2OPd and a molecular weight of 482.62 g/mol. Its IUPAC name is iodopalladium(1+);phenol;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Nameiodopalladium(1+);phenol;2-pyridin-2-ylpyridine
PubChem CID54678898
Molecular FormulaC16H13IN2OPd
Molecular Weight482.62 g/mol
Exact Mass481.91
IUPAC Nameiodopalladium(1+);phenol;2-pyridin-2-ylpyridine
SMILESOc1[c-]cccc1.[Pd+]I.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C6H5O.HI.Pd/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-6-4-2-1-3-5-6;;/h1-8H;1-4,7H;1H;/q;-1;;+2/p-1
InChIKeyFVZCWGKPNNNQAM-UHFFFAOYSA-M
XLogP4.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 161013986
tris(2-pyridin-2-ylpyridine);ruthenium
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2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
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Frequently Asked Questions

What is the IUPAC name of iodopalladium(1+);phenol;2-pyridin-2-ylpyridine?
The IUPAC name of iodopalladium(1+);phenol;2-pyridin-2-ylpyridine (CID 54678898) is iodopalladium(1+);phenol;2-pyridin-2-ylpyridine.
What is the SMILES notation for iodopalladium(1+);phenol;2-pyridin-2-ylpyridine?
The canonical SMILES for iodopalladium(1+);phenol;2-pyridin-2-ylpyridine is Oc1[c-]cccc1.[Pd+]I.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of iodopalladium(1+);phenol;2-pyridin-2-ylpyridine?
The InChIKey is FVZCWGKPNNNQAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2.C6H5O.HI.Pd/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;7-6-4-2-1-3-5-6;;/h1-8H;1-4,7H;1H;/q;-1;;+2/p-1.
What are the key properties of iodopalladium(1+);phenol;2-pyridin-2-ylpyridine?
iodopalladium(1+);phenol;2-pyridin-2-ylpyridine has a molecular weight of 482.62 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodopalladium(1+);phenol;2-pyridin-2-ylpyridine is sourced from PubChem (CID 54678898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).