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

C10H13FN2O4 — CID 118004760

IUPAC5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)cnc1[C@@H]1O[C@H](CO)C(O)[C@@H]1F
InChIInChI=1S/C10H13FN2O4/c1-4-8(12-2-6(15)13-4)10-7(11)9(16)5(3-14)17-10/h2,5,7,9-10,14,16H,3H2,1H3,(H,13,15)/t5-,7+,9?,10-/m1/s1
InChIKeyZHTVQPPCPONTKF-RBHLOERRSA-N
MW244.22 g/mol
LogP-0.79
Rot. Bonds2

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

5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one (PubChem CID 118004760) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
PubChem CID118004760
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
SMILESCc1[nH]c(=O)cnc1[C@@H]1O[C@H](CO)C(O)[C@@H]1F
InChIInChI=1S/C10H13FN2O4/c1-4-8(12-2-6(15)13-4)10-7(11)9(16)5(3-14)17-10/h2,5,7,9-10,14,16H,3H2,1H3,(H,13,15)/t5-,7+,9?,10-/m1/s1
InChIKeyZHTVQPPCPONTKF-RBHLOERRSA-N
XLogP-0.79
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
The IUPAC name of 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one (CID 118004760) is 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
The canonical SMILES for 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one is Cc1[nH]c(=O)cnc1[C@@H]1O[C@H](CO)C(O)[C@@H]1F.
What is the InChIKey of 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
The InChIKey is ZHTVQPPCPONTKF-RBHLOERRSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-4-8(12-2-6(15)13-4)10-7(11)9(16)5(3-14)17-10/h2,5,7,9-10,14,16H,3H2,1H3,(H,13,15)/t5-,7+,9?,10-/m1/s1.
What are the key properties of 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one?
5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one has a molecular weight of 244.22 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 118004760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).