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

C16H15Cl2NO3 — CID 169258456

IUPACethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(C)c(C)[nH]c1=O
InChIInChI=1S/C16H15Cl2NO3/c1-4-22-16(21)14-13(8(2)9(3)19-15(14)20)10-5-6-11(17)12(18)7-10/h5-7H,4H2,1-3H3,(H,19,20)
InChIKeyWXJFDMBDYBJUHI-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.14
Rot. Bonds3

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

ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 169258456) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID169258456
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(C)c(C)[nH]c1=O
InChIInChI=1S/C16H15Cl2NO3/c1-4-22-16(21)14-13(8(2)9(3)19-15(14)20)10-5-6-11(17)12(18)7-10/h5-7H,4H2,1-3H3,(H,19,20)
InChIKeyWXJFDMBDYBJUHI-UHFFFAOYSA-N
XLogP4.14
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (CID 169258456) is ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(C)c(C)[nH]c1=O.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is WXJFDMBDYBJUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-4-22-16(21)14-13(8(2)9(3)19-15(14)20)10-5-6-11(17)12(18)7-10/h5-7H,4H2,1-3H3,(H,19,20).
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 340.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 169258456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).