azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide

C9H19Cl2I2N3OPb — CID 174874926

IUPACazanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide
SMILESCN(C)C=O.C[n+]1ccccc1.Cl[Pb]Cl.[I-].[I-].[NH4+]
InChIInChI=1S/C6H8N.C3H7NO.2ClH.2HI.H3N.Pb/c1-7-5-3-2-4-6-7;1-4(2)3-5;;;;;;/h2-6H,1H3;3H,1-2H3;4*1H;1H3;/q+1;;;;;;;+2/p-3
InChIKeyYANAUQLPRGIGQF-UHFFFAOYSA-K
MW717.18 g/mol
LogP-4.40
Rot. Bonds1

About azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide

azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide (PubChem CID 174874926) has the molecular formula C9H19Cl2I2N3OPb and a molecular weight of 717.18 g/mol. Its IUPAC name is azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide.

Molecular Properties

Compound Nameazanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide
PubChem CID174874926
Molecular FormulaC9H19Cl2I2N3OPb
Molecular Weight717.18 g/mol
Exact Mass716.88
IUPAC Nameazanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide
SMILESCN(C)C=O.C[n+]1ccccc1.Cl[Pb]Cl.[I-].[I-].[NH4+]
InChIInChI=1S/C6H8N.C3H7NO.2ClH.2HI.H3N.Pb/c1-7-5-3-2-4-6-7;1-4(2)3-5;;;;;;/h2-6H,1H3;3H,1-2H3;4*1H;1H3;/q+1;;;;;;;+2/p-3
InChIKeyYANAUQLPRGIGQF-UHFFFAOYSA-K
XLogP-4.40
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.18
LogP ≤ 5-4.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide?
The IUPAC name of azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide (CID 174874926) is azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide.
What is the SMILES notation for azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide?
The canonical SMILES for azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide is CN(C)C=O.C[n+]1ccccc1.Cl[Pb]Cl.[I-].[I-].[NH4+].
What is the InChIKey of azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide?
The InChIKey is YANAUQLPRGIGQF-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8N.C3H7NO.2ClH.2HI.H3N.Pb/c1-7-5-3-2-4-6-7;1-4(2)3-5;;;;;;/h2-6H,1H3;3H,1-2H3;4*1H;1H3;/q+1;;;;;;;+2/p-3.
What are the key properties of azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide?
azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide has a molecular weight of 717.18 g/mol, XLogP of -4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;dichlorolead;N,N-dimethylformamide;1-methylpyridin-1-ium;diiodide is sourced from PubChem (CID 174874926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).