1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one

C11H14FNO3 — CID 165005705

IUPAC1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one
SMILESCC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1O
InChIInChI=1S/C11H14FNO3/c1-2-8-10(15)9(12)11(16-8)13-5-3-7(14)4-6-13/h3-6,8-11,15H,2H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKeyHYJQHYMPIVAOKE-GWOFURMSSA-N
MW227.23 g/mol
LogP0.85
Rot. Bonds2

About 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one

1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one (PubChem CID 165005705) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one
PubChem CID165005705
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one
SMILESCC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1O
InChIInChI=1S/C11H14FNO3/c1-2-8-10(15)9(12)11(16-8)13-5-3-7(14)4-6-13/h3-6,8-11,15H,2H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKeyHYJQHYMPIVAOKE-GWOFURMSSA-N
XLogP0.85
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one (CID 165005705) is 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one is CC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one?
The InChIKey is HYJQHYMPIVAOKE-GWOFURMSSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-8-10(15)9(12)11(16-8)13-5-3-7(14)4-6-13/h3-6,8-11,15H,2H2,1H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one?
1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one has a molecular weight of 227.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 165005705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).