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

C20H14Cl2FNO4 — CID 170604934

IUPAC2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(Oc2ccccc2F)cc(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H14Cl2FNO4/c1-2-24-17(28-16-6-4-3-5-14(16)23)10-15(25)18(20(26)27)19(24)11-7-8-12(21)13(22)9-11/h3-10H,2H2,1H3,(H,26,27)
InChIKeyKKEHALMPJVGWSE-UHFFFAOYSA-N
MW422.24 g/mol
LogP5.47
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid (PubChem CID 170604934) has the molecular formula C20H14Cl2FNO4 and a molecular weight of 422.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid
PubChem CID170604934
Molecular FormulaC20H14Cl2FNO4
Molecular Weight422.24 g/mol
Exact Mass421.03
IUPAC Name2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid
SMILESCCn1c(Oc2ccccc2F)cc(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H14Cl2FNO4/c1-2-24-17(28-16-6-4-3-5-14(16)23)10-15(25)18(20(26)27)19(24)11-7-8-12(21)13(22)9-11/h3-10H,2H2,1H3,(H,26,27)
InChIKeyKKEHALMPJVGWSE-UHFFFAOYSA-N
XLogP5.47
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.24
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-6-ethoxy-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604862
6-(3-cyanophenoxy)-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604875
2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075314
6-[(6-chloro-2-pyridinyl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 177035419
2-(3,4-dichlorophenyl)-6-[(3,5-dichloropyrazol-1-yl)methyl]-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 168932750
6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 177035420
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-[(2-fluoro-4-methylphenyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 170604790
2-(3,4-dichlorophenyl)-6-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604792
6-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 168932855
6-[(6-acetyl-2-pyridinyl)methyl]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
CID 170604777
2-(3,4-dichlorophenyl)-1-ethyl-6-[(5-fluoro-3-pyridinyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 170604771

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid (CID 170604934) is 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid is CCn1c(Oc2ccccc2F)cc(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid?
The InChIKey is KKEHALMPJVGWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FNO4/c1-2-24-17(28-16-6-4-3-5-14(16)23)10-15(25)18(20(26)27)19(24)11-7-8-12(21)13(22)9-11/h3-10H,2H2,1H3,(H,26,27).
What are the key properties of 2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid?
2-(3,4-dichlorophenyl)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid has a molecular weight of 422.24 g/mol, XLogP of 5.47, 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)-1-ethyl-6-(2-fluorophenoxy)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170604934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).