1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one

C9H10ClNO3 — CID 70457395

IUPAC1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one
SMILESO=c1ccccn1C1CC(O)C(Cl)O1
InChIInChI=1S/C9H10ClNO3/c10-9-6(12)5-8(14-9)11-4-2-1-3-7(11)13/h1-4,6,8-9,12H,5H2
InChIKeyPXOCVLLKTKCCFM-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.69
Rot. Bonds1

About 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one

1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one (PubChem CID 70457395) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one
PubChem CID70457395
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one
SMILESO=c1ccccn1C1CC(O)C(Cl)O1
InChIInChI=1S/C9H10ClNO3/c10-9-6(12)5-8(14-9)11-4-2-1-3-7(11)13/h1-4,6,8-9,12H,5H2
InChIKeyPXOCVLLKTKCCFM-UHFFFAOYSA-N
XLogP0.69
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one 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 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one?
The IUPAC name of 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one (CID 70457395) is 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one is O=c1ccccn1C1CC(O)C(Cl)O1.
What is the InChIKey of 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one?
The InChIKey is PXOCVLLKTKCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-9-6(12)5-8(14-9)11-4-2-1-3-7(11)13/h1-4,6,8-9,12H,5H2.
What are the key properties of 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one?
1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one has a molecular weight of 215.64 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-hydroxyoxolan-2-yl)pyridin-2-one is sourced from PubChem (CID 70457395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).