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

C15H13Cl2NO3 — CID 169258454

IUPACethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(C)[nH]c1=O
InChIInChI=1S/C15H13Cl2NO3/c1-3-21-15(20)13-10(6-8(2)18-14(13)19)9-4-5-11(16)12(17)7-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyQKMZBERVIHEWJP-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.83
Rot. Bonds3

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

ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 169258454) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID169258454
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(C)[nH]c1=O
InChIInChI=1S/C15H13Cl2NO3/c1-3-21-15(20)13-10(6-8(2)18-14(13)19)9-4-5-11(16)12(17)7-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyQKMZBERVIHEWJP-UHFFFAOYSA-N
XLogP3.83
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.83
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)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 169258454) is ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(C)[nH]c1=O.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QKMZBERVIHEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-3-21-15(20)13-10(6-8(2)18-14(13)19)9-4-5-11(16)12(17)7-9/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 326.18 g/mol, XLogP of 3.83, 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)-6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 169258454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).