1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one

C12H9Cl2NO2 — CID 54737576

IUPAC1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO2/c1-7-2-11(16)6-12(17)15(7)10-4-8(13)3-9(14)5-10/h2-6,16H,1H3
InChIKeyNQOGXSOIRHSNKL-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.16
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one

1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54737576) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54737576
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO2/c1-7-2-11(16)6-12(17)15(7)10-4-8(13)3-9(14)5-10/h2-6,16H,1H3
InChIKeyNQOGXSOIRHSNKL-UHFFFAOYSA-N
XLogP3.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one (CID 54737576) is 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is NQOGXSOIRHSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-7-2-11(16)6-12(17)15(7)10-4-8(13)3-9(14)5-10/h2-6,16H,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one?
1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 270.12 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54737576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).