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

C14H12FNO2 — CID 55127329

IUPAC1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one
SMILESO=C(Cc1ccc(F)cc1)Cn1ccc(=O)cc1
InChIInChI=1S/C14H12FNO2/c15-12-3-1-11(2-4-12)9-14(18)10-16-7-5-13(17)6-8-16/h1-8H,9-10H2
InChIKeyJHXYIZGFQRCMDY-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.80
Rot. Bonds4

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

1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one (PubChem CID 55127329) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one
PubChem CID55127329
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one
SMILESO=C(Cc1ccc(F)cc1)Cn1ccc(=O)cc1
InChIInChI=1S/C14H12FNO2/c15-12-3-1-11(2-4-12)9-14(18)10-16-7-5-13(17)6-8-16/h1-8H,9-10H2
InChIKeyJHXYIZGFQRCMDY-UHFFFAOYSA-N
XLogP1.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)-2-oxopropyl]-3-methylpyridin-2-one
CID 55158413
1-cyclopropyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazol-2-one
CID 80581320
1-[3-(4-fluorophenyl)-2-oxopropyl]-6-methylpyridin-2-one
CID 62024908
1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
CID 79507232
1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one
CID 62101144
5-[3-(4-fluorophenyl)-2-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735055
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(4-fluorophenyl)propan-2-one
CID 43797036
5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione
CID 160817849
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
CID 54909325

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one (CID 55127329) is 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one is O=C(Cc1ccc(F)cc1)Cn1ccc(=O)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one?
The InChIKey is JHXYIZGFQRCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-3-1-11(2-4-12)9-14(18)10-16-7-5-13(17)6-8-16/h1-8H,9-10H2.
What are the key properties of 1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one?
1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one has a molecular weight of 245.25 g/mol, XLogP of 1.80, 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]pyridin-4-one is sourced from PubChem (CID 55127329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).