bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate

C20H34Cl2N2O7P2Pt — CID 139065832

IUPACbis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
SMILESCCOP(=O)(Cc1ccccn1)OCC.CCOP(=O)(Cc1ccccn1)OCC.O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C10H16NO3P.2ClH.H2O.Pt/c2*1-3-13-15(12,14-4-2)9-10-7-5-6-8-11-10;;;;/h2*5-8H,3-4,9H2,1-2H3;2*1H;1H2;/q;;;;;+2/p-2
InChIKeyDOTGKZLMJCPREH-UHFFFAOYSA-L
MW742.43 g/mol
LogP-1.12
Rot. Bonds12

About bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate

bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate (PubChem CID 139065832) has the molecular formula C20H34Cl2N2O7P2Pt and a molecular weight of 742.43 g/mol. Its IUPAC name is bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate.

Molecular Properties

Compound Namebis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
PubChem CID139065832
Molecular FormulaC20H34Cl2N2O7P2Pt
Molecular Weight742.43 g/mol
Exact Mass741.09
IUPAC Namebis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
SMILESCCOP(=O)(Cc1ccccn1)OCC.CCOP(=O)(Cc1ccccn1)OCC.O.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C10H16NO3P.2ClH.H2O.Pt/c2*1-3-13-15(12,14-4-2)9-10-7-5-6-8-11-10;;;;/h2*5-8H,3-4,9H2,1-2H3;2*1H;1H2;/q;;;;;+2/p-2
InChIKeyDOTGKZLMJCPREH-UHFFFAOYSA-L
XLogP-1.12
TPSA128.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500742.43
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
4-(diethoxyphosphorylmethyl)pyrimidine
CID 166731479
3-bromo-2-(diethoxyphosphorylmethyl)pyridine
CID 169218685
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
CID 2763175
2-[1,2-bis(diethoxyphosphoryl)ethyl]pyridine
CID 11810977
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 118075361
2-(diethoxyphosphorylmethyl)pyridine-3-carboxylate
CID 18414949
3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine
CID 71493366
5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine
CID 88888038

Frequently Asked Questions

What is the IUPAC name of bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate?
The IUPAC name of bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate (CID 139065832) is bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate.
What is the SMILES notation for bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate?
The canonical SMILES for bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate is CCOP(=O)(Cc1ccccn1)OCC.CCOP(=O)(Cc1ccccn1)OCC.O.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate?
The InChIKey is DOTGKZLMJCPREH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H16NO3P.2ClH.H2O.Pt/c2*1-3-13-15(12,14-4-2)9-10-7-5-6-8-11-10;;;;/h2*5-8H,3-4,9H2,1-2H3;2*1H;1H2;/q;;;;;+2/p-2.
What are the key properties of bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate?
bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate has a molecular weight of 742.43 g/mol, XLogP of -1.12, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate is sourced from PubChem (CID 139065832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).