dichloroplatinum;bis(methyl pyridine-4-carboxylate)

C14H14Cl2N2O4Pt — CID 4684281

IUPACdichloroplatinum;bis(methyl pyridine-4-carboxylate)
SMILESCOC(=O)c1ccncc1.COC(=O)c1ccncc1.Cl[Pt]Cl
InChIInChI=1S/2C7H7NO2.2ClH.Pt/c2*1-10-7(9)6-2-4-8-5-3-6;;;/h2*2-5H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyHZNFHQPQINSODV-UHFFFAOYSA-L
MW540.26 g/mol
LogP3.11
Rot. Bonds2

About dichloroplatinum;bis(methyl pyridine-4-carboxylate)

dichloroplatinum;bis(methyl pyridine-4-carboxylate) (PubChem CID 4684281) has the molecular formula C14H14Cl2N2O4Pt and a molecular weight of 540.26 g/mol. Its IUPAC name is dichloroplatinum;bis(methyl pyridine-4-carboxylate).

Molecular Properties

Compound Namedichloroplatinum;bis(methyl pyridine-4-carboxylate)
PubChem CID4684281
Molecular FormulaC14H14Cl2N2O4Pt
Molecular Weight540.26 g/mol
Exact Mass539.00
IUPAC Namedichloroplatinum;bis(methyl pyridine-4-carboxylate)
SMILESCOC(=O)c1ccncc1.COC(=O)c1ccncc1.Cl[Pt]Cl
InChIInChI=1S/2C7H7NO2.2ClH.Pt/c2*1-10-7(9)6-2-4-8-5-3-6;;;/h2*2-5H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyHZNFHQPQINSODV-UHFFFAOYSA-L
XLogP3.11
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl pyridine-4-carboxylate;pentanamide
CID 174992063
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]benzoate
CID 10038604
methyl 4-[4-[(E)-2-pyridin-4-ylethenyl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]anilino]benzoate
CID 24814387
(2-methoxycarbonylphenyl) pyridine-4-carboxylate
CID 786465
methyl 4-(2,2-dimethyl-1-pyridin-4-ylpropyl)benzoate
CID 134080804
methyl 3-pyridin-4-ylbenzoate
CID 5152687
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
(111C)methyl pyridine-3-carboxylate
CID 11309537
dimethylazanide;methyl benzoate;yttrium
CID 59047039

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;bis(methyl pyridine-4-carboxylate)?
The IUPAC name of dichloroplatinum;bis(methyl pyridine-4-carboxylate) (CID 4684281) is dichloroplatinum;bis(methyl pyridine-4-carboxylate).
What is the SMILES notation for dichloroplatinum;bis(methyl pyridine-4-carboxylate)?
The canonical SMILES for dichloroplatinum;bis(methyl pyridine-4-carboxylate) is COC(=O)c1ccncc1.COC(=O)c1ccncc1.Cl[Pt]Cl.
What is the InChIKey of dichloroplatinum;bis(methyl pyridine-4-carboxylate)?
The InChIKey is HZNFHQPQINSODV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H7NO2.2ClH.Pt/c2*1-10-7(9)6-2-4-8-5-3-6;;;/h2*2-5H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloroplatinum;bis(methyl pyridine-4-carboxylate)?
dichloroplatinum;bis(methyl pyridine-4-carboxylate) has a molecular weight of 540.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;bis(methyl pyridine-4-carboxylate) is sourced from PubChem (CID 4684281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).