3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one

C19H17FN2O2 — CID 54679772

IUPAC3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1CCc1ccccn1
InChIInChI=1S/C19H17FN2O2/c20-15-6-4-14(5-7-15)13-17-18(23)9-12-22(19(17)24)11-8-16-3-1-2-10-21-16/h1-7,9-10,12,23H,8,11,13H2
InChIKeyIJTIQDLFTYPZRU-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.92
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one

3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one (PubChem CID 54679772) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one
PubChem CID54679772
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)ccn1CCc1ccccn1
InChIInChI=1S/C19H17FN2O2/c20-15-6-4-14(5-7-15)13-17-18(23)9-12-22(19(17)24)11-8-16-3-1-2-10-21-16/h1-7,9-10,12,23H,8,11,13H2
InChIKeyIJTIQDLFTYPZRU-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one (CID 54679772) is 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one is O=c1c(Cc2ccc(F)cc2)c(O)ccn1CCc1ccccn1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
The InChIKey is IJTIQDLFTYPZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-15-6-4-14(5-7-15)13-17-18(23)9-12-22(19(17)24)11-8-16-3-1-2-10-21-16/h1-7,9-10,12,23H,8,11,13H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one?
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-pyridin-2-ylethyl)pyridin-2-one has a molecular weight of 324.36 g/mol, XLogP of 2.92, 5 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-(2-pyridin-2-ylethyl)pyridin-2-one is sourced from PubChem (CID 54679772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).