cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)

C22H12CdCl2O4 — CID 22604187

IUPACcadmium(2+);bis(5-chloronaphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2c(Cl)cccc2c1.O=C([O-])c1ccc2c(Cl)cccc2c1.[Cd+2]
InChIInChI=1S/2C11H7ClO2.Cd/c2*12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10;/h2*1-6H,(H,13,14);/q;;+2/p-2
InChIKeyMNUQXDFORXGYLZ-UHFFFAOYSA-L
MW523.65 g/mol
LogP3.71
Rot. Bonds2

About cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)

cadmium(2+);bis(5-chloronaphthalene-2-carboxylate) (PubChem CID 22604187) has the molecular formula C22H12CdCl2O4 and a molecular weight of 523.65 g/mol. Its IUPAC name is cadmium(2+);bis(5-chloronaphthalene-2-carboxylate).

Molecular Properties

Compound Namecadmium(2+);bis(5-chloronaphthalene-2-carboxylate)
PubChem CID22604187
Molecular FormulaC22H12CdCl2O4
Molecular Weight523.65 g/mol
Exact Mass523.91
IUPAC Namecadmium(2+);bis(5-chloronaphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2c(Cl)cccc2c1.O=C([O-])c1ccc2c(Cl)cccc2c1.[Cd+2]
InChIInChI=1S/2C11H7ClO2.Cd/c2*12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10;/h2*1-6H,(H,13,14);/q;;+2/p-2
InChIKeyMNUQXDFORXGYLZ-UHFFFAOYSA-L
XLogP3.71
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.65
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)?
The IUPAC name of cadmium(2+);bis(5-chloronaphthalene-2-carboxylate) (CID 22604187) is cadmium(2+);bis(5-chloronaphthalene-2-carboxylate).
What is the SMILES notation for cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)?
The canonical SMILES for cadmium(2+);bis(5-chloronaphthalene-2-carboxylate) is O=C([O-])c1ccc2c(Cl)cccc2c1.O=C([O-])c1ccc2c(Cl)cccc2c1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)?
The InChIKey is MNUQXDFORXGYLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H7ClO2.Cd/c2*12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10;/h2*1-6H,(H,13,14);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)?
cadmium(2+);bis(5-chloronaphthalene-2-carboxylate) has a molecular weight of 523.65 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(5-chloronaphthalene-2-carboxylate) is sourced from PubChem (CID 22604187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).