palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate

C32H26N8O8Pd — CID 139059298

IUPACpalladium(2+);bis(tripyridin-2-ylmethanol);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].OC(c1ccccn1)(c1ccccn1)c1ccccn1.OC(c1ccccn1)(c1ccccn1)c1ccccn1.[Pd+2]
InChIInChI=1S/2C16H13N3O.2NO3.Pd/c2*20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15;2*2-1(3)4;/h2*1-12,20H;;;/q;;2*-1;+2
InChIKeyDYNIGGCXFFRLSR-UHFFFAOYSA-N
MW757.03 g/mol
LogP3.83
Rot. Bonds6

About palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate

palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate (PubChem CID 139059298) has the molecular formula C32H26N8O8Pd and a molecular weight of 757.03 g/mol. Its IUPAC name is palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate.

Molecular Properties

Compound Namepalladium(2+);bis(tripyridin-2-ylmethanol);dinitrate
PubChem CID139059298
Molecular FormulaC32H26N8O8Pd
Molecular Weight757.03 g/mol
Exact Mass756.09
IUPAC Namepalladium(2+);bis(tripyridin-2-ylmethanol);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].OC(c1ccccn1)(c1ccccn1)c1ccccn1.OC(c1ccccn1)(c1ccccn1)c1ccccn1.[Pd+2]
InChIInChI=1S/2C16H13N3O.2NO3.Pd/c2*20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15;2*2-1(3)4;/h2*1-12,20H;;;/q;;2*-1;+2
InChIKeyDYNIGGCXFFRLSR-UHFFFAOYSA-N
XLogP3.83
TPSA250.20 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.03
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tripyridin-2-ylmethanol
CID 4400709
Pyrinoline
CID 3052765
2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine
CID 90820104
Tris(6-pyridin-2-yl-2-pyridinyl)methanol
CID 90818925
1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene
CID 101341877
[2-[3,5-Bis[2-[hydroxy(dipyridin-2-yl)methyl]phenyl]phenyl]phenyl]-dipyridin-2-ylmethanol
CID 101777503
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(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate
CID 139055522
Bis(di-2-pyridylmethandiol)copper(II) diperchlorate
CID 139056061
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 palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate?
The IUPAC name of palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate (CID 139059298) is palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate.
What is the SMILES notation for palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate?
The canonical SMILES for palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].OC(c1ccccn1)(c1ccccn1)c1ccccn1.OC(c1ccccn1)(c1ccccn1)c1ccccn1.[Pd+2].
What is the InChIKey of palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate?
The InChIKey is DYNIGGCXFFRLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N3O.2NO3.Pd/c2*20-16(13-7-1-4-10-17-13,14-8-2-5-11-18-14)15-9-3-6-12-19-15;2*2-1(3)4;/h2*1-12,20H;;;/q;;2*-1;+2.
What are the key properties of palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate?
palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate has a molecular weight of 757.03 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(tripyridin-2-ylmethanol);dinitrate is sourced from PubChem (CID 139059298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).