5-methylperoxysulfanyl-2-pyridin-4-ylpyridine

C11H10N2O2S — CID 59001794

IUPAC5-methylperoxysulfanyl-2-pyridin-4-ylpyridine
SMILESCOOSc1ccc(-c2ccncc2)nc1
InChIInChI=1S/C11H10N2O2S/c1-14-15-16-10-2-3-11(13-8-10)9-4-6-12-7-5-9/h2-8H,1H3
InChIKeyAWDBPTJRQPRJML-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.73
Rot. Bonds4

About 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine

5-methylperoxysulfanyl-2-pyridin-4-ylpyridine (PubChem CID 59001794) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name5-methylperoxysulfanyl-2-pyridin-4-ylpyridine
PubChem CID59001794
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-methylperoxysulfanyl-2-pyridin-4-ylpyridine
SMILESCOOSc1ccc(-c2ccncc2)nc1
InChIInChI=1S/C11H10N2O2S/c1-14-15-16-10-2-3-11(13-8-10)9-4-6-12-7-5-9/h2-8H,1H3
InChIKeyAWDBPTJRQPRJML-UHFFFAOYSA-N
XLogP2.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine?
The IUPAC name of 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine (CID 59001794) is 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine.
What is the SMILES notation for 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine?
The canonical SMILES for 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine is COOSc1ccc(-c2ccncc2)nc1.
What is the InChIKey of 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine?
The InChIKey is AWDBPTJRQPRJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-14-15-16-10-2-3-11(13-8-10)9-4-6-12-7-5-9/h2-8H,1H3.
What are the key properties of 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine?
5-methylperoxysulfanyl-2-pyridin-4-ylpyridine has a molecular weight of 234.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylperoxysulfanyl-2-pyridin-4-ylpyridine is sourced from PubChem (CID 59001794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).