bis(pyridin-4-ylmethanol);tetrachloroplatinum

C12H14Cl4N2O2Pt — CID 50909507

IUPACbis(pyridin-4-ylmethanol);tetrachloroplatinum
SMILESCl[Pt](Cl)(Cl)Cl.OCc1ccncc1.OCc1ccncc1
InChIInChI=1S/2C6H7NO.4ClH.Pt/c2*8-5-6-1-3-7-4-2-6;;;;;/h2*1-4,8H,5H2;4*1H;/q;;;;;;+4/p-4
InChIKeyMJOHRUHBFXVLLR-UHFFFAOYSA-J
MW555.15 g/mol
LogP3.90
Rot. Bonds2

About bis(pyridin-4-ylmethanol);tetrachloroplatinum

bis(pyridin-4-ylmethanol);tetrachloroplatinum (PubChem CID 50909507) has the molecular formula C12H14Cl4N2O2Pt and a molecular weight of 555.15 g/mol. Its IUPAC name is bis(pyridin-4-ylmethanol);tetrachloroplatinum.

Molecular Properties

Compound Namebis(pyridin-4-ylmethanol);tetrachloroplatinum
PubChem CID50909507
Molecular FormulaC12H14Cl4N2O2Pt
Molecular Weight555.15 g/mol
Exact Mass552.95
IUPAC Namebis(pyridin-4-ylmethanol);tetrachloroplatinum
SMILESCl[Pt](Cl)(Cl)Cl.OCc1ccncc1.OCc1ccncc1
InChIInChI=1S/2C6H7NO.4ClH.Pt/c2*8-5-6-1-3-7-4-2-6;;;;;/h2*1-4,8H,5H2;4*1H;/q;;;;;;+4/p-4
InChIKeyMJOHRUHBFXVLLR-UHFFFAOYSA-J
XLogP3.90
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.15
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(pyridin-4-ylmethanol);tetrachloroplatinum?
The IUPAC name of bis(pyridin-4-ylmethanol);tetrachloroplatinum (CID 50909507) is bis(pyridin-4-ylmethanol);tetrachloroplatinum.
What is the SMILES notation for bis(pyridin-4-ylmethanol);tetrachloroplatinum?
The canonical SMILES for bis(pyridin-4-ylmethanol);tetrachloroplatinum is Cl[Pt](Cl)(Cl)Cl.OCc1ccncc1.OCc1ccncc1.
What is the InChIKey of bis(pyridin-4-ylmethanol);tetrachloroplatinum?
The InChIKey is MJOHRUHBFXVLLR-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H7NO.4ClH.Pt/c2*8-5-6-1-3-7-4-2-6;;;;;/h2*1-4,8H,5H2;4*1H;/q;;;;;;+4/p-4.
What are the key properties of bis(pyridin-4-ylmethanol);tetrachloroplatinum?
bis(pyridin-4-ylmethanol);tetrachloroplatinum has a molecular weight of 555.15 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridin-4-ylmethanol);tetrachloroplatinum is sourced from PubChem (CID 50909507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).