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

C9H10F2N2O4 — CID 118004763

IUPAC6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
SMILESO=c1cnc([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c(F)[nH]1
InChIInChI=1S/C9H10F2N2O4/c10-5-7(16)3(2-14)17-8(5)6-9(11)13-4(15)1-12-6/h1,3,5,7-8,14,16H,2H2,(H,13,15)/t3-,5+,7?,8-/m1/s1
InChIKeyITZNMCGTJURBKZ-GZLWZRELSA-N
MW248.19 g/mol
LogP-0.96
Rot. Bonds2

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

6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one (PubChem CID 118004763) has the molecular formula C9H10F2N2O4 and a molecular weight of 248.19 g/mol. Its IUPAC name is 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
PubChem CID118004763
Molecular FormulaC9H10F2N2O4
Molecular Weight248.19 g/mol
Exact Mass248.06
IUPAC Name6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one
SMILESO=c1cnc([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c(F)[nH]1
InChIInChI=1S/C9H10F2N2O4/c10-5-7(16)3(2-14)17-8(5)6-9(11)13-4(15)1-12-6/h1,3,5,7-8,14,16H,2H2,(H,13,15)/t3-,5+,7?,8-/m1/s1
InChIKeyITZNMCGTJURBKZ-GZLWZRELSA-N
XLogP-0.96
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
The IUPAC name of 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one (CID 118004763) is 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
The canonical SMILES for 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one is O=c1cnc([C@@H]2O[C@H](CO)C(O)[C@@H]2F)c(F)[nH]1.
What is the InChIKey of 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
The InChIKey is ITZNMCGTJURBKZ-GZLWZRELSA-N. The full InChI is InChI=1S/C9H10F2N2O4/c10-5-7(16)3(2-14)17-8(5)6-9(11)13-4(15)1-12-6/h1,3,5,7-8,14,16H,2H2,(H,13,15)/t3-,5+,7?,8-/m1/s1.
What are the key properties of 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one?
6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one has a molecular weight of 248.19 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 118004763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).