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

C10H12FNO4 — CID 164788440

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1
InChIInChI=1S/C10H12FNO4/c11-8-9(15)7(5-13)16-10(8)12-3-1-6(14)2-4-12/h1-4,7-10,13,15H,5H2/t7-,8-,9-,10-/m1/s1
InChIKeyGPZNGGPNSPGPEK-ZYUZMQFOSA-N
MW229.21 g/mol
LogP-0.56
Rot. Bonds2

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

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 164788440) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID164788440
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1
InChIInChI=1S/C10H12FNO4/c11-8-9(15)7(5-13)16-10(8)12-3-1-6(14)2-4-12/h1-4,7-10,13,15H,5H2/t7-,8-,9-,10-/m1/s1
InChIKeyGPZNGGPNSPGPEK-ZYUZMQFOSA-N
XLogP-0.56
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one with MolForge

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Related Compounds

1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 46876104
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
N-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 89658978
N-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 89678113
N-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 90254343
N-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 117627783
N-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 118016755
N-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[(Z)-3-oxobut-1-enyl]acetamide
CID 118911940
3-Fluoro-4-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]but-3-en-2-one
CID 123510581
1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
CID 142710993
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
CID 157144426
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788466

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one (CID 164788440) is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one is O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is GPZNGGPNSPGPEK-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H12FNO4/c11-8-9(15)7(5-13)16-10(8)12-3-1-6(14)2-4-12/h1-4,7-10,13,15H,5H2/t7-,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]pyridin-4-one?
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 229.21 g/mol, XLogP of -0.56, 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]pyridin-4-one is sourced from PubChem (CID 164788440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).