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

C12H16FNO5 — CID 123460212

IUPAC4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one
SMILESCOC1C(c2c[nH]c(=O)c(C)c2F)OC(CO)C1O
InChIInChI=1S/C12H16FNO5/c1-5-8(13)6(3-14-12(5)17)10-11(18-2)9(16)7(4-15)19-10/h3,7,9-11,15-16H,4H2,1-2H3,(H,14,17)
InChIKeyILPHCHPPXNGRDF-UHFFFAOYSA-N
MW273.26 g/mol
LogP-0.37
Rot. Bonds3

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

4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one (PubChem CID 123460212) has the molecular formula C12H16FNO5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one
PubChem CID123460212
Molecular FormulaC12H16FNO5
Molecular Weight273.26 g/mol
Exact Mass273.10
IUPAC Name4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one
SMILESCOC1C(c2c[nH]c(=O)c(C)c2F)OC(CO)C1O
InChIInChI=1S/C12H16FNO5/c1-5-8(13)6(3-14-12(5)17)10-11(18-2)9(16)7(4-15)19-10/h3,7,9-11,15-16H,4H2,1-2H3,(H,14,17)
InChIKeyILPHCHPPXNGRDF-UHFFFAOYSA-N
XLogP-0.37
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 5-0.37
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]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one (CID 123460212) is 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one is COC1C(c2c[nH]c(=O)c(C)c2F)OC(CO)C1O.
What is the InChIKey of 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one?
The InChIKey is ILPHCHPPXNGRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5/c1-5-8(13)6(3-14-12(5)17)10-11(18-2)9(16)7(4-15)19-10/h3,7,9-11,15-16H,4H2,1-2H3,(H,14,17).
What are the key properties of 4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one?
4-fluoro-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyridin-2-one has a molecular weight of 273.26 g/mol, XLogP of -0.37, 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]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 123460212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).