1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one

C12H10ClNO2 — CID 71371526

IUPAC1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2/c1-8-12(16)11(15)6-7-14(8)10-4-2-9(13)3-5-10/h2-7,16H,1H3
InChIKeyWDMIUQKTDBAHBW-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.50
Rot. Bonds1

About 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one

1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 71371526) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID71371526
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2/c1-8-12(16)11(15)6-7-14(8)10-4-2-9(13)3-5-10/h2-7,16H,1H3
InChIKeyWDMIUQKTDBAHBW-UHFFFAOYSA-N
XLogP2.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one (CID 71371526) is 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is WDMIUQKTDBAHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-8-12(16)11(15)6-7-14(8)10-4-2-9(13)3-5-10/h2-7,16H,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one?
1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 235.67 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 71371526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).