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

C11H13F2NO4 — CID 118004769

IUPAC4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(F)c1[C@@H]1O[C@H](CO)C(O)[C@@H]1F
InChIInChI=1S/C11H13F2NO4/c1-4-8(5(12)2-7(16)14-4)11-9(13)10(17)6(3-15)18-11/h2,6,9-11,15,17H,3H2,1H3,(H,14,16)/t6-,9+,10?,11+/m1/s1
InChIKeyGKJDEQSCBGNVGY-KVVSFVFPSA-N
MW261.22 g/mol
LogP-0.05
Rot. Bonds2

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

4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one (PubChem CID 118004769) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one
PubChem CID118004769
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(F)c1[C@@H]1O[C@H](CO)C(O)[C@@H]1F
InChIInChI=1S/C11H13F2NO4/c1-4-8(5(12)2-7(16)14-4)11-9(13)10(17)6(3-15)18-11/h2,6,9-11,15,17H,3H2,1H3,(H,14,16)/t6-,9+,10?,11+/m1/s1
InChIKeyGKJDEQSCBGNVGY-KVVSFVFPSA-N
XLogP-0.05
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one (CID 118004769) is 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)cc(F)c1[C@@H]1O[C@H](CO)C(O)[C@@H]1F.
What is the InChIKey of 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one?
The InChIKey is GKJDEQSCBGNVGY-KVVSFVFPSA-N. The full InChI is InChI=1S/C11H13F2NO4/c1-4-8(5(12)2-7(16)14-4)11-9(13)10(17)6(3-15)18-11/h2,6,9-11,15,17H,3H2,1H3,(H,14,16)/t6-,9+,10?,11+/m1/s1.
What are the key properties of 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one?
4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one has a molecular weight of 261.22 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(2S,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118004769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).