2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid

C16H15Cl2NO4 — CID 170604862

IUPAC2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid
SMILESCCOc1cc(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)n1CC
InChIInChI=1S/C16H15Cl2NO4/c1-3-19-13(23-4-2)8-12(20)14(16(21)22)15(19)9-5-6-10(17)11(18)7-9/h5-8H,3-4H2,1-2H3,(H,21,22)
InChIKeyQIMRRQQJTDHHMU-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.94
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid

2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 170604862) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid
PubChem CID170604862
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid
SMILESCCOc1cc(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)n1CC
InChIInChI=1S/C16H15Cl2NO4/c1-3-19-13(23-4-2)8-12(20)14(16(21)22)15(19)9-5-6-10(17)11(18)7-9/h5-8H,3-4H2,1-2H3,(H,21,22)
InChIKeyQIMRRQQJTDHHMU-UHFFFAOYSA-N
XLogP3.94
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(6-chloro-2-pyridinyl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 177035419
6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 177035420
2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075314
2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid
CID 170604934
6-(3-cyanophenoxy)-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604875
2-(3-chloro-4-cyanophenyl)-6-[(5-chloropyrimidin-2-yl)methoxy]-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 177035402
2-(3,4-dichlorophenyl)-6-[(3,5-dichloropyrazol-1-yl)methyl]-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 168932750
6-[(6-chloro-3-pyridinyl)methyl]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604819
2-(3,4-dichlorophenyl)-5-(3-ethoxy-5-methylphenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388146
2-(3,4-dichlorophenyl)-1-ethyl-6-[(5-methyl-3-oxo-1H-pyrazol-2-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 168932864
6-[(5-chloro-6-fluoro-2-pyridinyl)methyl]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604828
2-(3,4-dichlorophenyl)-1-ethyl-6-[(6-methylpyridazin-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 170604688

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid (CID 170604862) is 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid is CCOc1cc(=O)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)n1CC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is QIMRRQQJTDHHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-3-19-13(23-4-2)8-12(20)14(16(21)22)15(19)9-5-6-10(17)11(18)7-9/h5-8H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid?
2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 356.21 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170604862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).