6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium

C7H5NO3PdS — CID 164910534

IUPAC6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium
SMILESOCc1cc2oc(=S)oc2cn1.[Pd]
InChIInChI=1S/C7H5NO3S.Pd/c9-3-4-1-5-6(2-8-4)11-7(12)10-5;/h1-2,9H,3H2;
InChIKeyJWANJVZKMKODEA-UHFFFAOYSA-N
MW289.61 g/mol
LogP1.64
Rot. Bonds1

About 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium

6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium (PubChem CID 164910534) has the molecular formula C7H5NO3PdS and a molecular weight of 289.61 g/mol. Its IUPAC name is 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium.

Molecular Properties

Compound Name6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium
PubChem CID164910534
Molecular FormulaC7H5NO3PdS
Molecular Weight289.61 g/mol
Exact Mass288.90
IUPAC Name6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium
SMILESOCc1cc2oc(=S)oc2cn1.[Pd]
InChIInChI=1S/C7H5NO3S.Pd/c9-3-4-1-5-6(2-8-4)11-7(12)10-5;/h1-2,9H,3H2;
InChIKeyJWANJVZKMKODEA-UHFFFAOYSA-N
XLogP1.64
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.61
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium?
The IUPAC name of 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium (CID 164910534) is 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium.
What is the SMILES notation for 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium?
The canonical SMILES for 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium is OCc1cc2oc(=S)oc2cn1.[Pd].
What is the InChIKey of 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium?
The InChIKey is JWANJVZKMKODEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S.Pd/c9-3-4-1-5-6(2-8-4)11-7(12)10-5;/h1-2,9H,3H2;.
What are the key properties of 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium?
6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium has a molecular weight of 289.61 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-[1,3]dioxolo[4,5-c]pyridine-2-thione;palladium is sourced from PubChem (CID 164910534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).