5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C15H11Cl2NO4 — CID 21293569

IUPAC5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C(=O)O)cc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO4/c1-2-12-9(6-10(15(21)22)14(20)18-12)13(19)8-4-3-7(16)5-11(8)17/h3-6H,2H2,1H3,(H,18,20)(H,21,22)
InChIKeyWYTSYLNYBJICKT-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.17
Rot. Bonds4

About 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 21293569) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID21293569
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C(=O)O)cc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2NO4/c1-2-12-9(6-10(15(21)22)14(20)18-12)13(19)8-4-3-7(16)5-11(8)17/h3-6H,2H2,1H3,(H,18,20)(H,21,22)
InChIKeyWYTSYLNYBJICKT-UHFFFAOYSA-N
XLogP3.17
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 21293569) is 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1[nH]c(=O)c(C(=O)O)cc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is WYTSYLNYBJICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c1-2-12-9(6-10(15(21)22)14(20)18-12)13(19)8-4-3-7(16)5-11(8)17/h3-6H,2H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 340.16 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 21293569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).