3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one

C17H18FNO3 — CID 54730585

IUPAC3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1C[C@@H]1CCCO1
InChIInChI=1S/C17H18FNO3/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h3-8,14,20H,1-2,9-11H2/t14-/m0/s1
InChIKeyWDJZUKPCAWKZSR-AWEZNQCLSA-N
MW303.33 g/mol
LogP2.46
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one

3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one (PubChem CID 54730585) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
PubChem CID54730585
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1C[C@@H]1CCCO1
InChIInChI=1S/C17H18FNO3/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h3-8,14,20H,1-2,9-11H2/t14-/m0/s1
InChIKeyWDJZUKPCAWKZSR-AWEZNQCLSA-N
XLogP2.46
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorobenzyl)-4-hydroxy-1-(tetrahydro-2-furanylmethyl)-2(1H)-pyridinone
CID 54687291
3-(4-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682158
3-(4-fluorobenzyl)-4-hydroxy-1-(3-methoxypropyl)-2(1H)-pyridinone
CID 54687587
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(tetrahydro-2-furanylmethyl)-2(1H)-pyridinone
CID 54696638
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-3-phenethyl-pyridin-2-one
CID 71450720
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-3-phenyl-pyridin-2-one
CID 71452570
[(2R,3R,4R,5R)-3,4-diacetoxy-5-(4-hydroxy-2-oxo-3-phenethyl-1-pyridyl)tetrahydrofuran-2-yl]methyl acetate
CID 71459767
1-butyl-3-(4-fluorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54687292
3-benzyl-4-hydroxy-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 54704152
1-(1-benzyl-2-hydroxyethyl)-3-(4-fluorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54687302
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3376542

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one (CID 54730585) is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1C[C@@H]1CCCO1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
The InChIKey is WDJZUKPCAWKZSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-13-5-3-12(4-6-13)10-15-16(20)7-8-19(17(15)21)11-14-2-1-9-22-14/h3-8,14,20H,1-2,9-11H2/t14-/m0/s1.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one?
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one has a molecular weight of 303.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 54730585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).