dichloropalladium;3-iminobutanenitrile

C4H6Cl2N2Pd — CID 131725966

IUPACdichloropalladium;3-iminobutanenitrile
SMILESCl[Pd]Cl.[H]/N=C(\C)CC#N
InChIInChI=1S/C4H6N2.2ClH.Pd/c1-4(6)2-3-5;;;/h6H,2H2,1H3;2*1H;/q;;;+2/p-2/b6-4+;;;
InChIKeySOWQANSIDDQYPF-VFKQLSEOSA-L
MW259.43 g/mol
LogP2.32
Rot. Bonds1

About dichloropalladium;3-iminobutanenitrile

dichloropalladium;3-iminobutanenitrile (PubChem CID 131725966) has the molecular formula C4H6Cl2N2Pd and a molecular weight of 259.43 g/mol. Its IUPAC name is dichloropalladium;3-iminobutanenitrile.

Molecular Properties

Compound Namedichloropalladium;3-iminobutanenitrile
PubChem CID131725966
Molecular FormulaC4H6Cl2N2Pd
Molecular Weight259.43 g/mol
Exact Mass257.89
IUPAC Namedichloropalladium;3-iminobutanenitrile
SMILESCl[Pd]Cl.[H]/N=C(\C)CC#N
InChIInChI=1S/C4H6N2.2ClH.Pd/c1-4(6)2-3-5;;;/h6H,2H2,1H3;2*1H;/q;;;+2/p-2/b6-4+;;;
InChIKeySOWQANSIDDQYPF-VFKQLSEOSA-L
XLogP2.32
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dichloropalladium;3-iminobutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-5-amino-3-iminohex-4-enenitrile
CID 55288877
1-cyclopropylpropan-2-imine
CID 146731572
sodium;hydride;3-oxobutanenitrile
CID 173052297
2-(2-cyanoacetyl)-2-methylpropanediimidamide
CID 151732695
butyl 2-cyanoethanimidate
CID 89030633
3-iminobutan-1-ol
CID 54468047
2-[2-cyanoethyl(3-iminobutyl)amino]benzonitrile
CID 143800390
acetic acid;3-oxobutanenitrile
CID 172702854
potassium;hydride;3-oxobutanenitrile
CID 173335106
3-iminobutanimidoyl bromide
CID 118688687
bis(acetonitrile);dichloropalladium;hydrochloride
CID 173036610
1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol
CID 89059599

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;3-iminobutanenitrile?
The IUPAC name of dichloropalladium;3-iminobutanenitrile (CID 131725966) is dichloropalladium;3-iminobutanenitrile.
What is the SMILES notation for dichloropalladium;3-iminobutanenitrile?
The canonical SMILES for dichloropalladium;3-iminobutanenitrile is Cl[Pd]Cl.[H]/N=C(\C)CC#N.
What is the InChIKey of dichloropalladium;3-iminobutanenitrile?
The InChIKey is SOWQANSIDDQYPF-VFKQLSEOSA-L. The full InChI is InChI=1S/C4H6N2.2ClH.Pd/c1-4(6)2-3-5;;;/h6H,2H2,1H3;2*1H;/q;;;+2/p-2/b6-4+;;;.
What are the key properties of dichloropalladium;3-iminobutanenitrile?
dichloropalladium;3-iminobutanenitrile has a molecular weight of 259.43 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;3-iminobutanenitrile is sourced from PubChem (CID 131725966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).