bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate

C22H28Cl2N4O8Pd — CID 139055522

IUPACbis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate
SMILESO.O.O.O.OC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C11H10N2O2.2ClH.4H2O.Pd/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;;;;;;;/h2*1-8,14-15H;2*1H;4*1H2;/q;;;;;;;;+2/p-2
InChIKeyHFBLGRUKZRPRHS-UHFFFAOYSA-L
MW653.81 g/mol
LogP-7.97
Rot. Bonds4

About bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate

bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate (PubChem CID 139055522) has the molecular formula C22H28Cl2N4O8Pd and a molecular weight of 653.81 g/mol. Its IUPAC name is bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate.

Molecular Properties

Compound Namebis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate
PubChem CID139055522
Molecular FormulaC22H28Cl2N4O8Pd
Molecular Weight653.81 g/mol
Exact Mass652.03
IUPAC Namebis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate
SMILESO.O.O.O.OC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C11H10N2O2.2ClH.4H2O.Pd/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;;;;;;;/h2*1-8,14-15H;2*1H;4*1H2;/q;;;;;;;;+2/p-2
InChIKeyHFBLGRUKZRPRHS-UHFFFAOYSA-L
XLogP-7.97
TPSA258.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.81
LogP ≤ 5-7.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pyrinoline
CID 3052765
2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine
CID 90820104
Tris(6-pyridin-2-yl-2-pyridinyl)methanol
CID 90818925
2,6-Bis(dipyridin-2-ylmethoxymethyl)pyridine
CID 91376410
1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene
CID 101341877
Pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol
CID 102494319
Bis[bis(2 pyridyl)hydroxymethyl]pyridine
CID 129773315
Bis(dipyridin-2-ylmethanediol);platinum(2+);dichloride;tetrahydrate
CID 139053883
Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate
CID 139055892
Bis(di-2-pyridylmethandiol)copper(II) diperchlorate
CID 139056061
Bis[tris(pyridin-2-yl)methanol-kappa^2^N]palladium(II) dinitrate
CID 139059298
bis[hydroxybis(pyridin-2-yl)methanesulfonato-kappa^3^N,O,N']copper(II) hexahydrate
CID 139061441

Frequently Asked Questions

What is the IUPAC name of bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate?
The IUPAC name of bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate (CID 139055522) is bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate.
What is the SMILES notation for bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate?
The canonical SMILES for bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate is O.O.O.O.OC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate?
The InChIKey is HFBLGRUKZRPRHS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H10N2O2.2ClH.4H2O.Pd/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;;;;;;;/h2*1-8,14-15H;2*1H;4*1H2;/q;;;;;;;;+2/p-2.
What are the key properties of bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate?
bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate has a molecular weight of 653.81 g/mol, XLogP of -7.97, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dipyridin-2-ylmethanediol);palladium(2+);dichloride;tetrahydrate is sourced from PubChem (CID 139055522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).