5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one

C12H9Cl2NO2 — CID 123499878

IUPAC5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
SMILESCc1c(-c2ccc(Cl)cc2Cl)c[nH]c(=O)c1O
InChIInChI=1S/C12H9Cl2NO2/c1-6-9(5-15-12(17)11(6)16)8-3-2-7(13)4-10(8)14/h2-5,16H,1H3,(H,15,17)
InChIKeySMVGWDFZHRUIRQ-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.36
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one

5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one (PubChem CID 123499878) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
PubChem CID123499878
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
SMILESCc1c(-c2ccc(Cl)cc2Cl)c[nH]c(=O)c1O
InChIInChI=1S/C12H9Cl2NO2/c1-6-9(5-15-12(17)11(6)16)8-3-2-7(13)4-10(8)14/h2-5,16H,1H3,(H,15,17)
InChIKeySMVGWDFZHRUIRQ-UHFFFAOYSA-N
XLogP3.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092464
3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22029345
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
4-(2,4-dichlorophenyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174558705
3-(2,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088712
2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133093069
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one
CID 130088720

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one (CID 123499878) is 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one is Cc1c(-c2ccc(Cl)cc2Cl)c[nH]c(=O)c1O.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
The InChIKey is SMVGWDFZHRUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-6-9(5-15-12(17)11(6)16)8-3-2-7(13)4-10(8)14/h2-5,16H,1H3,(H,15,17).
What are the key properties of 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one?
5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one has a molecular weight of 270.12 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 123499878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).