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

C10H13FN2O5 — CID 118005325

IUPAC6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one
SMILESCO[C@H]1C(O)[C@@H](CO)O[C@H]1c1ncc(=O)[nH]c1F
InChIInChI=1S/C10H13FN2O5/c1-17-9-7(16)4(3-14)18-8(9)6-10(11)13-5(15)2-12-6/h2,4,7-9,14,16H,3H2,1H3,(H,13,15)/t4-,7?,8+,9+/m1/s1
InChIKeyORGCZOZSZLBACT-GLWRVUTGSA-N
MW260.22 g/mol
LogP-1.28
Rot. Bonds3

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

6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one (PubChem CID 118005325) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one
PubChem CID118005325
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one
SMILESCO[C@H]1C(O)[C@@H](CO)O[C@H]1c1ncc(=O)[nH]c1F
InChIInChI=1S/C10H13FN2O5/c1-17-9-7(16)4(3-14)18-8(9)6-10(11)13-5(15)2-12-6/h2,4,7-9,14,16H,3H2,1H3,(H,13,15)/t4-,7?,8+,9+/m1/s1
InChIKeyORGCZOZSZLBACT-GLWRVUTGSA-N
XLogP-1.28
TPSA104.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-ethynyl-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
CID 118004692
5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
CID 118004760
6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
CID 118004763
5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
CID 118004774
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-1H-pyrazin-2-one
CID 118004823
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one
CID 118004825
6-fluoro-5-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
CID 118005124
5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one
CID 118005131
6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3-methyl-1H-pyrazin-2-one
CID 118005307
5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-prop-1-ynyl-1H-pyrazin-2-one
CID 118005321
[[(2R,4S,5S)-5-(2-fluoro-6-oxo-1H-pyrazin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 122543114
[[(2R,4S,5S)-4-fluoro-5-(2-fluoro-6-oxo-1H-pyrazin-3-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 122543154

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one?
The IUPAC name of 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one (CID 118005325) is 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one?
The canonical SMILES for 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one is CO[C@H]1C(O)[C@@H](CO)O[C@H]1c1ncc(=O)[nH]c1F.
What is the InChIKey of 6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one?
The InChIKey is ORGCZOZSZLBACT-GLWRVUTGSA-N. The full InChI is InChI=1S/C10H13FN2O5/c1-17-9-7(16)4(3-14)18-8(9)6-10(11)13-5(15)2-12-6/h2,4,7-9,14,16H,3H2,1H3,(H,13,15)/t4-,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]-1H-pyrazin-2-one?
6-fluoro-5-[(2S,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrazin-2-one has a molecular weight of 260.22 g/mol, XLogP of -1.28, 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]-1H-pyrazin-2-one is sourced from PubChem (CID 118005325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).