benzene-1,2-dicarbonitrile;palladium(2+);dichloride

C8H4Cl2N2Pd — CID 175388598

IUPACbenzene-1,2-dicarbonitrile;palladium(2+);dichloride
SMILESN#Cc1ccccc1C#N.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/C8H4N2.2ClH.Pd/c9-5-7-3-1-2-4-8(7)6-10;;;/h1-4H;2*1H;/q;;;+2/p-2
InChIKeyYRTNKTMDJIPKIY-UHFFFAOYSA-L
MW305.46 g/mol
LogP-4.56
Rot. Bonds

About benzene-1,2-dicarbonitrile;palladium(2+);dichloride

benzene-1,2-dicarbonitrile;palladium(2+);dichloride (PubChem CID 175388598) has the molecular formula C8H4Cl2N2Pd and a molecular weight of 305.46 g/mol. Its IUPAC name is benzene-1,2-dicarbonitrile;palladium(2+);dichloride.

Molecular Properties

Compound Namebenzene-1,2-dicarbonitrile;palladium(2+);dichloride
PubChem CID175388598
Molecular FormulaC8H4Cl2N2Pd
Molecular Weight305.46 g/mol
Exact Mass303.88
IUPAC Namebenzene-1,2-dicarbonitrile;palladium(2+);dichloride
SMILESN#Cc1ccccc1C#N.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/C8H4N2.2ClH.Pd/c9-5-7-3-1-2-4-8(7)6-10;;;/h1-4H;2*1H;/q;;;+2/p-2
InChIKeyYRTNKTMDJIPKIY-UHFFFAOYSA-L
XLogP-4.56
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 5-4.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
2-ethynylbenzonitrile
CID 11116074
benzene-1,2-dicarbonitrile;prop-2-enenitrile
CID 175057961
2-[2-[2-[2-(2-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419208
benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone
CID 131733191
acetic acid;benzene-1,2-dicarbonitrile;molecular nitrogen
CID 174519097
2-methylbenzonitrile
CID 162098401
2-chlorobenzonitrile
CID 139060041
(2-cyanophenyl)azanium
CID 144921904
2-(2-cyanophenoxy)benzonitrile
CID 13435570

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dicarbonitrile;palladium(2+);dichloride?
The IUPAC name of benzene-1,2-dicarbonitrile;palladium(2+);dichloride (CID 175388598) is benzene-1,2-dicarbonitrile;palladium(2+);dichloride.
What is the SMILES notation for benzene-1,2-dicarbonitrile;palladium(2+);dichloride?
The canonical SMILES for benzene-1,2-dicarbonitrile;palladium(2+);dichloride is N#Cc1ccccc1C#N.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of benzene-1,2-dicarbonitrile;palladium(2+);dichloride?
The InChIKey is YRTNKTMDJIPKIY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H4N2.2ClH.Pd/c9-5-7-3-1-2-4-8(7)6-10;;;/h1-4H;2*1H;/q;;;+2/p-2.
What are the key properties of benzene-1,2-dicarbonitrile;palladium(2+);dichloride?
benzene-1,2-dicarbonitrile;palladium(2+);dichloride has a molecular weight of 305.46 g/mol, XLogP of -4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dicarbonitrile;palladium(2+);dichloride is sourced from PubChem (CID 175388598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).