1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one

C15H14FNO2 — CID 55158413

IUPAC1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FNO2/c1-11-3-2-8-17(15(11)19)10-14(18)9-12-4-6-13(16)7-5-12/h2-8H,9-10H2,1H3
InChIKeyJCGLOUQUZNNIDW-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.11
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one

1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one (PubChem CID 55158413) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one
PubChem CID55158413
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C15H14FNO2/c1-11-3-2-8-17(15(11)19)10-14(18)9-12-4-6-13(16)7-5-12/h2-8H,9-10H2,1H3
InChIKeyJCGLOUQUZNNIDW-UHFFFAOYSA-N
XLogP2.11
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one (CID 55158413) is 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one is Cc1cccn(CC(=O)Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one?
The InChIKey is JCGLOUQUZNNIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11-3-2-8-17(15(11)19)10-14(18)9-12-4-6-13(16)7-5-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one?
1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one has a molecular weight of 259.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one is sourced from PubChem (CID 55158413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).