5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

C14H11NO4 — CID 53223113

IUPAC5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H11NO4/c1-8(16)9-2-4-10(5-3-9)11-6-12(14(18)19)13(17)15-7-11/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyZHXJMNKXEDUOKU-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.94
Rot. Bonds3

About 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid

5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53223113) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53223113
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H11NO4/c1-8(16)9-2-4-10(5-3-9)11-6-12(14(18)19)13(17)15-7-11/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyZHXJMNKXEDUOKU-UHFFFAOYSA-N
XLogP1.94
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(dimethylcarbamoyl)phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224066
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
CID 10375975
5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 10014975
5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871
5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223518
5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224202
1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 118529858
5-(4-acetylphenyl)-1H-pyrimidine-2,4-dione
CID 53222291
5-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223292
5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223755
5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223876
ethane;1-(4-phenylphenyl)ethanone
CID 123256888

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 53223113) is 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is CC(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZHXJMNKXEDUOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-8(16)9-2-4-10(5-3-9)11-6-12(14(18)19)13(17)15-7-11/h2-7H,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53223113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).