1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione

C11H14FNO5 — CID 59149392

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione
SMILESC[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O
InChIInChI=1S/C11H14FNO5/c1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16/h2-3,7,9-10,14,17H,4-5H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKeyQZBXBRUMMRXIFB-QCNRFFRDSA-N
MW259.23 g/mol
LogP-0.89
Rot. Bonds2

About 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione (PubChem CID 59149392) has the molecular formula C11H14FNO5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione
PubChem CID59149392
Molecular FormulaC11H14FNO5
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione
SMILESC[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O
InChIInChI=1S/C11H14FNO5/c1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16/h2-3,7,9-10,14,17H,4-5H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKeyQZBXBRUMMRXIFB-QCNRFFRDSA-N
XLogP-0.89
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione 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-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione (CID 59149392) is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione is C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
The InChIKey is QZBXBRUMMRXIFB-QCNRFFRDSA-N. The full InChI is InChI=1S/C11H14FNO5/c1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16/h2-3,7,9-10,14,17H,4-5H2,1H3/t7-,9-,10-,11-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione has a molecular weight of 259.23 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione is sourced from PubChem (CID 59149392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).