6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one

C11H15FN2O5 — CID 118005307

IUPAC6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one
SMILESCO[C@H]1C(O)[C@@H](CO)O[C@H]1c1nc(C)c(=O)[nH]c1F
InChIInChI=1S/C11H15FN2O5/c1-4-11(17)14-10(12)6(13-4)8-9(18-2)7(16)5(3-15)19-8/h5,7-9,15-16H,3H2,1-2H3,(H,14,17)/t5-,7?,8+,9+/m1/s1
InChIKeyQMGITIWRFQLUSP-ACQNDQGRSA-N
MW274.25 g/mol
LogP-0.97
Rot. Bonds3

About 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one

6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one (PubChem CID 118005307) has the molecular formula C11H15FN2O5 and a molecular weight of 274.25 g/mol. Its IUPAC name is 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one
PubChem CID118005307
Molecular FormulaC11H15FN2O5
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one
SMILESCO[C@H]1C(O)[C@@H](CO)O[C@H]1c1nc(C)c(=O)[nH]c1F
InChIInChI=1S/C11H15FN2O5/c1-4-11(17)14-10(12)6(13-4)8-9(18-2)7(16)5(3-15)19-8/h5,7-9,15-16H,3H2,1-2H3,(H,14,17)/t5-,7?,8+,9+/m1/s1
InChIKeyQMGITIWRFQLUSP-ACQNDQGRSA-N
XLogP-0.97
TPSA104.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
The IUPAC name of 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one (CID 118005307) is 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
The canonical SMILES for 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one is CO[C@H]1C(O)[C@@H](CO)O[C@H]1c1nc(C)c(=O)[nH]c1F.
What is the InChIKey of 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
The InChIKey is QMGITIWRFQLUSP-ACQNDQGRSA-N. The full InChI is InChI=1S/C11H15FN2O5/c1-4-11(17)14-10(12)6(13-4)8-9(18-2)7(16)5(3-15)19-8/h5,7-9,15-16H,3H2,1-2H3,(H,14,17)/t5-,7?,8+,9+/m1/s1.
What are the key properties of 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one?
6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one has a molecular weight of 274.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 118005307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).