2-(2-hydroperoxypropan-2-yl)pyridine

C8H11NO2 — CID 134995621

IUPAC2-(2-hydroperoxypropan-2-yl)pyridine
SMILESCC(C)(OO)c1ccccn1
InChIInChI=1S/C8H11NO2/c1-8(2,11-10)7-5-3-4-6-9-7/h3-6,10H,1-2H3
InChIKeyLIUTZBLHZHFDKA-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.81
Rot. Bonds2

About 2-(2-hydroperoxypropan-2-yl)pyridine

2-(2-hydroperoxypropan-2-yl)pyridine (PubChem CID 134995621) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(2-hydroperoxypropan-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-hydroperoxypropan-2-yl)pyridine
PubChem CID134995621
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(2-hydroperoxypropan-2-yl)pyridine
SMILESCC(C)(OO)c1ccccn1
InChIInChI=1S/C8H11NO2/c1-8(2,11-10)7-5-3-4-6-9-7/h3-6,10H,1-2H3
InChIKeyLIUTZBLHZHFDKA-UHFFFAOYSA-N
XLogP1.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.81
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'}

Analyze 2-(2-hydroperoxypropan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroperoxypropan-2-yl)pyridine?
The IUPAC name of 2-(2-hydroperoxypropan-2-yl)pyridine (CID 134995621) is 2-(2-hydroperoxypropan-2-yl)pyridine.
What is the SMILES notation for 2-(2-hydroperoxypropan-2-yl)pyridine?
The canonical SMILES for 2-(2-hydroperoxypropan-2-yl)pyridine is CC(C)(OO)c1ccccn1.
What is the InChIKey of 2-(2-hydroperoxypropan-2-yl)pyridine?
The InChIKey is LIUTZBLHZHFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(2,11-10)7-5-3-4-6-9-7/h3-6,10H,1-2H3.
What are the key properties of 2-(2-hydroperoxypropan-2-yl)pyridine?
2-(2-hydroperoxypropan-2-yl)pyridine has a molecular weight of 153.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroperoxypropan-2-yl)pyridine is sourced from PubChem (CID 134995621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).