1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one

C12H16FNO4 — CID 164788466

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC
InChIInChI=1S/C12H16FNO4/c1-16-7-9-11(17-2)10(13)12(18-9)14-5-3-8(15)4-6-14/h3-6,9-12H,7H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyGBBSTQMABZHYFJ-DDHJBXDOSA-N
MW257.26 g/mol
LogP0.75
Rot. Bonds4

About 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one

1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 164788466) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID164788466
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC
InChIInChI=1S/C12H16FNO4/c1-16-7-9-11(17-2)10(13)12(18-9)14-5-3-8(15)4-6-14/h3-6,9-12H,7H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyGBBSTQMABZHYFJ-DDHJBXDOSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (CID 164788466) is 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is COC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is GBBSTQMABZHYFJ-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-16-7-9-11(17-2)10(13)12(18-9)14-5-3-8(15)4-6-14/h3-6,9-12H,7H2,1-2H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 257.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 164788466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).