3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one

C15H14ClNO3 — CID 54678218

IUPAC3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2cc(Cl)ccc2C)c1=O
InChIInChI=1S/C15H14ClNO3/c1-8-4-5-11(16)7-12(8)17-9(2)6-13(19)14(10(3)18)15(17)20/h4-7,19H,1-3H3
InChIKeyXQPNIOSTDLSRQH-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.02
Rot. Bonds2

About 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one

3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54678218) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54678218
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2cc(Cl)ccc2C)c1=O
InChIInChI=1S/C15H14ClNO3/c1-8-4-5-11(16)7-12(8)17-9(2)6-13(19)14(10(3)18)15(17)20/h4-7,19H,1-3H3
InChIKeyXQPNIOSTDLSRQH-UHFFFAOYSA-N
XLogP3.02
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one (CID 54678218) is 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one is CC(=O)c1c(O)cc(C)n(-c2cc(Cl)ccc2C)c1=O.
What is the InChIKey of 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is XQPNIOSTDLSRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-8-4-5-11(16)7-12(8)17-9(2)6-13(19)14(10(3)18)15(17)20/h4-7,19H,1-3H3.
What are the key properties of 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 291.73 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54678218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).