3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one

C14H11NO4 — CID 10945069

IUPAC3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)c2ccccc2O)c[nH]c1=O
InChIInChI=1S/C14H11NO4/c1-8(16)11-6-9(7-15-14(11)19)13(18)10-4-2-3-5-12(10)17/h2-7,17H,1H3,(H,15,19)
InChIKeyOYQCFAGKOUWWNW-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.51
Rot. Bonds3

About 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one

3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one (PubChem CID 10945069) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one
PubChem CID10945069
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)c2ccccc2O)c[nH]c1=O
InChIInChI=1S/C14H11NO4/c1-8(16)11-6-9(7-15-14(11)19)13(18)10-4-2-3-5-12(10)17/h2-7,17H,1H3,(H,15,19)
InChIKeyOYQCFAGKOUWWNW-UHFFFAOYSA-N
XLogP1.51
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
CID 12008335
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2537858
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223113
3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid
CID 70437560

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one (CID 10945069) is 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one is CC(=O)c1cc(C(=O)c2ccccc2O)c[nH]c1=O.
What is the InChIKey of 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one?
The InChIKey is OYQCFAGKOUWWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-8(16)11-6-9(7-15-14(11)19)13(18)10-4-2-3-5-12(10)17/h2-7,17H,1H3,(H,15,19).
What are the key properties of 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one?
3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one has a molecular weight of 257.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(2-hydroxybenzoyl)-1H-pyridin-2-one is sourced from PubChem (CID 10945069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).