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

C15H12Cl3NO3 — CID 169258444

IUPACethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(Cl)c(C)[nH]c1=O
InChIInChI=1S/C15H12Cl3NO3/c1-3-22-15(21)12-11(13(18)7(2)19-14(12)20)8-4-5-9(16)10(17)6-8/h4-6H,3H2,1-2H3,(H,19,20)
InChIKeyKTKHRWIOPCQSFT-UHFFFAOYSA-N
MW360.62 g/mol
LogP4.49
Rot. Bonds3

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

ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 169258444) has the molecular formula C15H12Cl3NO3 and a molecular weight of 360.62 g/mol. Its IUPAC name is ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID169258444
Molecular FormulaC15H12Cl3NO3
Molecular Weight360.62 g/mol
Exact Mass358.99
IUPAC Nameethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(Cl)c(C)[nH]c1=O
InChIInChI=1S/C15H12Cl3NO3/c1-3-22-15(21)12-11(13(18)7(2)19-14(12)20)8-4-5-9(16)10(17)6-8/h4-6H,3H2,1-2H3,(H,19,20)
InChIKeyKTKHRWIOPCQSFT-UHFFFAOYSA-N
XLogP4.49
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 169258444) is ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(Cl)c(C)[nH]c1=O.
What is the InChIKey of ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is KTKHRWIOPCQSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO3/c1-3-22-15(21)12-11(13(18)7(2)19-14(12)20)8-4-5-9(16)10(17)6-8/h4-6H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 360.62 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 169258444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).