dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium

C10H17Cl2N2OPt+ — CID 50909668

IUPACdichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium
SMILESC[N+](C)=CO.Cc1ccnc(C)c1.Cl[Pt]Cl
InChIInChI=1S/C7H9N.C3H7NO.2ClH.Pt/c1-6-3-4-8-7(2)5-6;1-4(2)3-5;;;/h3-5H,1-2H3;3H,1-2H3;2*1H;/q;;;;+2/p-1
InChIKeyNDULGTFHAUYIAR-UHFFFAOYSA-M
MW447.24 g/mol
LogP2.92
Rot. Bonds

About dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium

dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium (PubChem CID 50909668) has the molecular formula C10H17Cl2N2OPt+ and a molecular weight of 447.24 g/mol. Its IUPAC name is dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium.

Molecular Properties

Compound Namedichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium
PubChem CID50909668
Molecular FormulaC10H17Cl2N2OPt+
Molecular Weight447.24 g/mol
Exact Mass446.04
IUPAC Namedichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium
SMILESC[N+](C)=CO.Cc1ccnc(C)c1.Cl[Pt]Cl
InChIInChI=1S/C7H9N.C3H7NO.2ClH.Pt/c1-6-3-4-8-7(2)5-6;1-4(2)3-5;;;/h3-5H,1-2H3;3H,1-2H3;2*1H;/q;;;;+2/p-1
InChIKeyNDULGTFHAUYIAR-UHFFFAOYSA-M
XLogP2.92
TPSA36.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium?
The IUPAC name of dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium (CID 50909668) is dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium.
What is the SMILES notation for dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium?
The canonical SMILES for dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium is C[N+](C)=CO.Cc1ccnc(C)c1.Cl[Pt]Cl.
What is the InChIKey of dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium?
The InChIKey is NDULGTFHAUYIAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N.C3H7NO.2ClH.Pt/c1-6-3-4-8-7(2)5-6;1-4(2)3-5;;;/h3-5H,1-2H3;3H,1-2H3;2*1H;/q;;;;+2/p-1.
What are the key properties of dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium?
dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium has a molecular weight of 447.24 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium is sourced from PubChem (CID 50909668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).