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

C10H12FNO5 — CID 157144426

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
SMILESO=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)C1
InChIInChI=1S/C10H12FNO5/c11-8-9(16)6(4-13)17-10(8)12-2-1-5(14)3-7(12)15/h1-2,6,8-10,13,16H,3-4H2/t6-,8-,9-,10-/m1/s1
InChIKeyNMORFJHLAGDWHH-PEBGCTIMSA-N
MW245.21 g/mol
LogP-1.28
Rot. Bonds2

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

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione (PubChem CID 157144426) has the molecular formula C10H12FNO5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
PubChem CID157144426
Molecular FormulaC10H12FNO5
Molecular Weight245.21 g/mol
Exact Mass245.07
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
SMILESO=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)C1
InChIInChI=1S/C10H12FNO5/c11-8-9(16)6(4-13)17-10(8)12-2-1-5(14)3-7(12)15/h1-2,6,8-10,13,16H,3-4H2/t6-,8-,9-,10-/m1/s1
InChIKeyNMORFJHLAGDWHH-PEBGCTIMSA-N
XLogP-1.28
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione (CID 157144426) is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione is O=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C(=O)C1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione?
The InChIKey is NMORFJHLAGDWHH-PEBGCTIMSA-N. The full InChI is InChI=1S/C10H12FNO5/c11-8-9(16)6(4-13)17-10(8)12-2-1-5(14)3-7(12)15/h1-2,6,8-10,13,16H,3-4H2/t6-,8-,9-,10-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione?
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione has a molecular weight of 245.21 g/mol, XLogP of -1.28, 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)oxolan-2-yl]pyridine-2,4-dione is sourced from PubChem (CID 157144426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).