4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one

C11H14FNO5 — CID 123535134

IUPAC4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
SMILESCOC1C(c2c[nH]c(=O)cc2F)OC(CO)C1O
InChIInChI=1S/C11H14FNO5/c1-17-11-9(16)7(4-14)18-10(11)5-3-13-8(15)2-6(5)12/h2-3,7,9-11,14,16H,4H2,1H3,(H,13,15)
InChIKeyGPGHQMQEMILXHX-UHFFFAOYSA-N
MW259.23 g/mol
LogP-0.68
Rot. Bonds3

About 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one

4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one (PubChem CID 123535134) has the molecular formula C11H14FNO5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
PubChem CID123535134
Molecular FormulaC11H14FNO5
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one
SMILESCOC1C(c2c[nH]c(=O)cc2F)OC(CO)C1O
InChIInChI=1S/C11H14FNO5/c1-17-11-9(16)7(4-14)18-10(11)5-3-13-8(15)2-6(5)12/h2-3,7,9-11,14,16H,4H2,1H3,(H,13,15)
InChIKeyGPGHQMQEMILXHX-UHFFFAOYSA-N
XLogP-0.68
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one (CID 123535134) is 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one is COC1C(c2c[nH]c(=O)cc2F)OC(CO)C1O.
What is the InChIKey of 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
The InChIKey is GPGHQMQEMILXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5/c1-17-11-9(16)7(4-14)18-10(11)5-3-13-8(15)2-6(5)12/h2-3,7,9-11,14,16H,4H2,1H3,(H,13,15).
What are the key properties of 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one?
4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one has a molecular weight of 259.23 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 123535134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).