2-hydroperoxypyridine

C5H5NO2 — CID 22154796

IUPAC2-hydroperoxypyridine
SMILESOOc1ccccn1
InChIInChI=1S/C5H5NO2/c7-8-5-3-1-2-4-6-5/h1-4,7H
InChIKeyWTNXKWYZPWBHEG-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.93
Rot. Bonds1

About 2-hydroperoxypyridine

2-hydroperoxypyridine (PubChem CID 22154796) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 2-hydroperoxypyridine.

Molecular Properties

Compound Name2-hydroperoxypyridine
PubChem CID22154796
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name2-hydroperoxypyridine
SMILESOOc1ccccn1
InChIInChI=1S/C5H5NO2/c7-8-5-3-1-2-4-6-5/h1-4,7H
InChIKeyWTNXKWYZPWBHEG-UHFFFAOYSA-N
XLogP0.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxypyridine?
The IUPAC name of 2-hydroperoxypyridine (CID 22154796) is 2-hydroperoxypyridine.
What is the SMILES notation for 2-hydroperoxypyridine?
The canonical SMILES for 2-hydroperoxypyridine is OOc1ccccn1.
What is the InChIKey of 2-hydroperoxypyridine?
The InChIKey is WTNXKWYZPWBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-8-5-3-1-2-4-6-5/h1-4,7H.
What are the key properties of 2-hydroperoxypyridine?
2-hydroperoxypyridine has a molecular weight of 111.10 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxypyridine is sourced from PubChem (CID 22154796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).