cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide

C12H24Cd3Cl4N2+4 — CID 6396339

IUPACcadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide
SMILESCC1=CC[N-]C=C1.CC1CC[N-]CC1.[Cd+2].[ClH+][Cd][ClH+].[ClH+][Cd][ClH+]
InChIInChI=1S/C6H12N.C6H8N.3Cd.4ClH/c2*1-6-2-4-7-5-3-6;;;;;;;/h6H,2-5H2,1H3;2-4H,5H2,1H3;;;;4*1H/q2*-1;3*+2;;;;
InChIKeyWJSMMTKNZIPQBY-UHFFFAOYSA-N
MW675.39 g/mol
LogP2.55
Rot. Bonds

About cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide

cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide (PubChem CID 6396339) has the molecular formula C12H24Cd3Cl4N2+4 and a molecular weight of 675.39 g/mol. Its IUPAC name is cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide.

Molecular Properties

Compound Namecadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide
PubChem CID6396339
Molecular FormulaC12H24Cd3Cl4N2+4
Molecular Weight675.39 g/mol
Exact Mass677.78
IUPAC Namecadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide
SMILESCC1=CC[N-]C=C1.CC1CC[N-]CC1.[Cd+2].[ClH+][Cd][ClH+].[ClH+][Cd][ClH+]
InChIInChI=1S/C6H12N.C6H8N.3Cd.4ClH/c2*1-6-2-4-7-5-3-6;;;;;;;/h6H,2-5H2,1H3;2-4H,5H2,1H3;;;;4*1H/q2*-1;3*+2;;;;
InChIKeyWJSMMTKNZIPQBY-UHFFFAOYSA-N
XLogP2.55
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide?
The IUPAC name of cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide (CID 6396339) is cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide.
What is the SMILES notation for cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide?
The canonical SMILES for cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide is CC1=CC[N-]C=C1.CC1CC[N-]CC1.[Cd+2].[ClH+][Cd][ClH+].[ClH+][Cd][ClH+].
What is the InChIKey of cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide?
The InChIKey is WJSMMTKNZIPQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N.C6H8N.3Cd.4ClH/c2*1-6-2-4-7-5-3-6;;;;;;;/h6H,2-5H2,1H3;2-4H,5H2,1H3;;;;4*1H/q2*-1;3*+2;;;;.
What are the key properties of cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide?
cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide has a molecular weight of 675.39 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(dichloroniocadmium);4-methylpiperidin-1-ide;4-methyl-2H-pyridin-1-ide is sourced from PubChem (CID 6396339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).