potassium;palladium(2+);2-phenylaniline;carbonate

C13H10KNO3Pd — CID 162533153

IUPACpotassium;palladium(2+);2-phenylaniline;carbonate
SMILESNc1ccccc1-c1[c-]cccc1.O=C([O-])[O-].[K+].[Pd+2]
InChIInChI=1S/C12H10N.CH2O3.K.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1(3)4;;/h1-6,8-9H,13H2;(H2,2,3,4);;/q-1;;+1;+2/p-2
InChIKeyAGJOYJDJEZFJKX-UHFFFAOYSA-L
MW373.75 g/mol
LogP-2.71
Rot. Bonds1

About potassium;palladium(2+);2-phenylaniline;carbonate

potassium;palladium(2+);2-phenylaniline;carbonate (PubChem CID 162533153) has the molecular formula C13H10KNO3Pd and a molecular weight of 373.75 g/mol. Its IUPAC name is potassium;palladium(2+);2-phenylaniline;carbonate.

Molecular Properties

Compound Namepotassium;palladium(2+);2-phenylaniline;carbonate
PubChem CID162533153
Molecular FormulaC13H10KNO3Pd
Molecular Weight373.75 g/mol
Exact Mass372.93
IUPAC Namepotassium;palladium(2+);2-phenylaniline;carbonate
SMILESNc1ccccc1-c1[c-]cccc1.O=C([O-])[O-].[K+].[Pd+2]
InChIInChI=1S/C12H10N.CH2O3.K.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1(3)4;;/h1-6,8-9H,13H2;(H2,2,3,4);;/q-1;;+1;+2/p-2
InChIKeyAGJOYJDJEZFJKX-UHFFFAOYSA-L
XLogP-2.71
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydrogen sulfate;palladium(2+);2-phenylaniline
CID 166559034
ethane;palladium;2-phenylaniline
CID 176694795
methanesulfonic acid;bis(palladium);bis(2-phenylaniline)
CID 117064808
1,1'-biphenyl;palladium;2-phenylaniline
CID 174222698
methanesulfonic acid;palladium;2-phenylaniline;tris(tritert-butylphosphanium)
CID 175727482
palladium(2+);2-phenylaniline;tricyclohexylphosphane;chloride
CID 170997340
CID 171371398
CID 171371398
palladium(2+);phenylbenzene
CID 58471959
4-ditert-butylphosphanyl-N,N-dimethylaniline;methanesulfonate;palladium(2+);2-phenylaniline
CID 171000066
butyl(docosyl)phosphane;methanesulfonic acid;palladium;2-phenylaniline
CID 175985152
dichloromethane;methanesulfonic acid;palladium;2-phenylaniline;tricyclohexylphosphane
CID 121237574
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methanesulfonate;palladium(2+);2-phenylaniline
CID 129011198

Frequently Asked Questions

What is the IUPAC name of potassium;palladium(2+);2-phenylaniline;carbonate?
The IUPAC name of potassium;palladium(2+);2-phenylaniline;carbonate (CID 162533153) is potassium;palladium(2+);2-phenylaniline;carbonate.
What is the SMILES notation for potassium;palladium(2+);2-phenylaniline;carbonate?
The canonical SMILES for potassium;palladium(2+);2-phenylaniline;carbonate is Nc1ccccc1-c1[c-]cccc1.O=C([O-])[O-].[K+].[Pd+2].
What is the InChIKey of potassium;palladium(2+);2-phenylaniline;carbonate?
The InChIKey is AGJOYJDJEZFJKX-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10N.CH2O3.K.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2-1(3)4;;/h1-6,8-9H,13H2;(H2,2,3,4);;/q-1;;+1;+2/p-2.
What are the key properties of potassium;palladium(2+);2-phenylaniline;carbonate?
potassium;palladium(2+);2-phenylaniline;carbonate has a molecular weight of 373.75 g/mol, XLogP of -2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;palladium(2+);2-phenylaniline;carbonate is sourced from PubChem (CID 162533153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).