acetonitrile;palladium;hydrochloride

C2H4ClNPd — CID 87079849

IUPACacetonitrile;palladium;hydrochloride
SMILESCC#N.Cl.[Pd]
InChIInChI=1S/C2H3N.ClH.Pd/c1-2-3;;/h1H3;1H;
InChIKeyIVMACESBOCHLRP-UHFFFAOYSA-N
MW183.93 g/mol
LogP0.95
Rot. Bonds

About acetonitrile;palladium;hydrochloride

acetonitrile;palladium;hydrochloride (PubChem CID 87079849) has the molecular formula C2H4ClNPd and a molecular weight of 183.93 g/mol. Its IUPAC name is acetonitrile;palladium;hydrochloride.

Molecular Properties

Compound Nameacetonitrile;palladium;hydrochloride
PubChem CID87079849
Molecular FormulaC2H4ClNPd
Molecular Weight183.93 g/mol
Exact Mass182.91
IUPAC Nameacetonitrile;palladium;hydrochloride
SMILESCC#N.Cl.[Pd]
InChIInChI=1S/C2H3N.ClH.Pd/c1-2-3;;/h1H3;1H;
InChIKeyIVMACESBOCHLRP-UHFFFAOYSA-N
XLogP0.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.93
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;palladium;hydrochloride?
The IUPAC name of acetonitrile;palladium;hydrochloride (CID 87079849) is acetonitrile;palladium;hydrochloride.
What is the SMILES notation for acetonitrile;palladium;hydrochloride?
The canonical SMILES for acetonitrile;palladium;hydrochloride is CC#N.Cl.[Pd].
What is the InChIKey of acetonitrile;palladium;hydrochloride?
The InChIKey is IVMACESBOCHLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.ClH.Pd/c1-2-3;;/h1H3;1H;.
What are the key properties of acetonitrile;palladium;hydrochloride?
acetonitrile;palladium;hydrochloride has a molecular weight of 183.93 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;palladium;hydrochloride is sourced from PubChem (CID 87079849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).