5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one

C14H10F3NO2 — CID 82420875

IUPAC5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
SMILESCC(=O)c1cn(-c2ccc(F)c(F)c2F)c(C)cc1=O
InChIInChI=1S/C14H10F3NO2/c1-7-5-12(20)9(8(2)19)6-18(7)11-4-3-10(15)13(16)14(11)17/h3-6H,1-2H3
InChIKeyDWXYSTVZUKMUBP-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.77
Rot. Bonds2

About 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one

5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one (PubChem CID 82420875) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one.

Molecular Properties

Compound Name5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
PubChem CID82420875
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
SMILESCC(=O)c1cn(-c2ccc(F)c(F)c2F)c(C)cc1=O
InChIInChI=1S/C14H10F3NO2/c1-7-5-12(20)9(8(2)19)6-18(7)11-4-3-10(15)13(16)14(11)17/h3-6H,1-2H3
InChIKeyDWXYSTVZUKMUBP-UHFFFAOYSA-N
XLogP2.77
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420858
6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)pyridine-3-carbonitrile
CID 82420859
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
2-[6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)-3-pyridinyl]acetonitrile
CID 82420869
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
5-acetyl-1-(4-methoxyphenyl)-2-methylpyridin-4-one
CID 82421340
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82419346
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82420382
1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82420815
1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420947
6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)pyridazine-3-carbonitrile
CID 82420881
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
The IUPAC name of 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one (CID 82420875) is 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one.
What is the SMILES notation for 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
The canonical SMILES for 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one is CC(=O)c1cn(-c2ccc(F)c(F)c2F)c(C)cc1=O.
What is the InChIKey of 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
The InChIKey is DWXYSTVZUKMUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-7-5-12(20)9(8(2)19)6-18(7)11-4-3-10(15)13(16)14(11)17/h3-6H,1-2H3.
What are the key properties of 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one?
5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one has a molecular weight of 281.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one is sourced from PubChem (CID 82420875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).