ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C15H13Cl2NO4 — CID 110272902

IUPACethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(-c2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C15H13Cl2NO4/c1-3-22-15(21)11-7(2)18-14(20)12(13(11)19)9-5-4-8(16)6-10(9)17/h4-6H,3H2,1-2H3,(H2,18,19,20)
InChIKeyMWEBZJHUXYKUSK-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.54
Rot. Bonds3

About ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 110272902) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID110272902
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Nameethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(-c2ccc(Cl)cc2Cl)c1O
InChIInChI=1S/C15H13Cl2NO4/c1-3-22-15(21)11-7(2)18-14(20)12(13(11)19)9-5-4-8(16)6-10(9)17/h4-6H,3H2,1-2H3,(H2,18,19,20)
InChIKeyMWEBZJHUXYKUSK-UHFFFAOYSA-N
XLogP3.54
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70697129
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
3-(2,4-dichlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719906
5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 21293569
ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54147301
2-(2,4-dichlorophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
CID 54523275
[4-(2,4-dichlorophenyl)-2-(methoxymethyl)-2-methyl-5-oxo-1H-pyrrol-3-yl] acetate
CID 57878566
ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 71654903
Ethyl 4-hydroxy-2-isobutyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 90220587
methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91151108
methyl 5-[(2,6-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080054
methyl 5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080061

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 110272902) is ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]c(=O)c(-c2ccc(Cl)cc2Cl)c1O.
What is the InChIKey of ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is MWEBZJHUXYKUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-3-22-15(21)11-7(2)18-14(20)12(13(11)19)9-5-4-8(16)6-10(9)17/h4-6H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 342.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,4-dichlorophenyl)-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 110272902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).