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

C11H14FNO3 — CID 167508848

IUPAC1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOC[C@@H]1C[C@@H](F)[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C11H14FNO3/c1-15-7-9-6-10(12)11(16-9)13-4-2-8(14)3-5-13/h2-5,9-11H,6-7H2,1H3/t9-,10+,11+/m0/s1
InChIKeyAYFFGPAIPBSPGS-HBNTYKKESA-N
MW227.24 g/mol
LogP1.12
Rot. Bonds3

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

1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 167508848) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID167508848
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCOC[C@@H]1C[C@@H](F)[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C11H14FNO3/c1-15-7-9-6-10(12)11(16-9)13-4-2-8(14)3-5-13/h2-5,9-11H,6-7H2,1H3/t9-,10+,11+/m0/s1
InChIKeyAYFFGPAIPBSPGS-HBNTYKKESA-N
XLogP1.12
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788440
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788466
1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788499
1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one
CID 172569523
1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851334
Ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851339
1-[5-(Methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851340
1-[5-(Hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851362
1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851365
Ethane;1-[5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one;methanol
CID 156851366
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane
CID 165089096
1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 166729305

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one (CID 167508848) is 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is COC[C@@H]1C[C@@H](F)[C@H](n2ccc(=O)cc2)O1.
What is the InChIKey of 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is AYFFGPAIPBSPGS-HBNTYKKESA-N. The full InChI is InChI=1S/C11H14FNO3/c1-15-7-9-6-10(12)11(16-9)13-4-2-8(14)3-5-13/h2-5,9-11H,6-7H2,1H3/t9-,10+,11+/m0/s1.
What are the key properties of 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one?
1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 227.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 167508848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).