(2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one

C10H11NO3 — CID 10631623

IUPAC(2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one
SMILESO=C1C[C@H](c2ccccn2)O[C@@H]1CO
InChIInChI=1S/C10H11NO3/c12-6-10-8(13)5-9(14-10)7-3-1-2-4-11-7/h1-4,9-10,12H,5-6H2/t9-,10-/m1/s1
InChIKeyMVPDPRDVWHXBRH-NXEZZACHSA-N
MW193.20 g/mol
LogP0.47
Rot. Bonds2

About (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one

(2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one (PubChem CID 10631623) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one.

Molecular Properties

Compound Name(2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one
PubChem CID10631623
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one
SMILESO=C1C[C@H](c2ccccn2)O[C@@H]1CO
InChIInChI=1S/C10H11NO3/c12-6-10-8(13)5-9(14-10)7-3-1-2-4-11-7/h1-4,9-10,12H,5-6H2/t9-,10-/m1/s1
InChIKeyMVPDPRDVWHXBRH-NXEZZACHSA-N
XLogP0.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-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 (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one?
The IUPAC name of (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one (CID 10631623) is (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one.
What is the SMILES notation for (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one?
The canonical SMILES for (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one is O=C1C[C@H](c2ccccn2)O[C@@H]1CO.
What is the InChIKey of (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one?
The InChIKey is MVPDPRDVWHXBRH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-10-8(13)5-9(14-10)7-3-1-2-4-11-7/h1-4,9-10,12H,5-6H2/t9-,10-/m1/s1.
What are the key properties of (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one?
(2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one has a molecular weight of 193.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(hydroxymethyl)-5-pyridin-2-yloxolan-3-one is sourced from PubChem (CID 10631623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).