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

C17H15Cl2NO4 — CID 54147301

IUPACethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c(CC)[nH]c1=O
InChIInChI=1S/C17H15Cl2NO4/c1-3-14-11(8-12(16(22)20-14)17(23)24-4-2)15(21)10-6-5-9(18)7-13(10)19/h5-8H,3-4H2,1-2H3,(H,20,22)
InChIKeyOFHGDROVUNIXQC-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.65
Rot. Bonds5

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

ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 54147301) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID54147301
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Nameethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c(CC)[nH]c1=O
InChIInChI=1S/C17H15Cl2NO4/c1-3-14-11(8-12(16(22)20-14)17(23)24-4-2)15(21)10-6-5-9(18)7-13(10)19/h5-8H,3-4H2,1-2H3,(H,20,22)
InChIKeyOFHGDROVUNIXQC-UHFFFAOYSA-N
XLogP3.65
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate (CID 54147301) is ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c(CC)[nH]c1=O.
What is the InChIKey of ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is OFHGDROVUNIXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-3-14-11(8-12(16(22)20-14)17(23)24-4-2)15(21)10-6-5-9(18)7-13(10)19/h5-8H,3-4H2,1-2H3,(H,20,22).
What are the key properties of ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 368.22 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,4-dichlorobenzoyl)-6-ethyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54147301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).