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

C10H13FN2O5 — CID 118005131

IUPAC5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one
SMILESCc1nc([C@@H]2O[C@H](CO)[C@H](O)C2O)c(F)[nH]c1=O
InChIInChI=1S/C10H13FN2O5/c1-3-10(17)13-9(11)5(12-3)8-7(16)6(15)4(2-14)18-8/h4,6-8,14-16H,2H2,1H3,(H,13,17)/t4-,6+,7?,8+/m1/s1
InChIKeyWUVDQEFHXDVPFZ-BKPXOZKHSA-N
MW260.22 g/mol
LogP-1.63
Rot. Bonds2

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

5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one (PubChem CID 118005131) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one
PubChem CID118005131
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one
SMILESCc1nc([C@@H]2O[C@H](CO)[C@H](O)C2O)c(F)[nH]c1=O
InChIInChI=1S/C10H13FN2O5/c1-3-10(17)13-9(11)5(12-3)8-7(16)6(15)4(2-14)18-8/h4,6-8,14-16H,2H2,1H3,(H,13,17)/t4-,6+,7?,8+/m1/s1
InChIKeyWUVDQEFHXDVPFZ-BKPXOZKHSA-N
XLogP-1.63
TPSA115.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one?
The IUPAC name of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one (CID 118005131) is 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one?
The canonical SMILES for 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one is Cc1nc([C@@H]2O[C@H](CO)[C@H](O)C2O)c(F)[nH]c1=O.
What is the InChIKey of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one?
The InChIKey is WUVDQEFHXDVPFZ-BKPXOZKHSA-N. The full InChI is InChI=1S/C10H13FN2O5/c1-3-10(17)13-9(11)5(12-3)8-7(16)6(15)4(2-14)18-8/h4,6-8,14-16H,2H2,1H3,(H,13,17)/t4-,6+,7?,8+/m1/s1.
What are the key properties of 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one?
5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one has a molecular weight of 260.22 g/mol, XLogP of -1.63, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 118005131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).