4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C19H11Cl2F2NO3 — CID 169258452

IUPAC4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C19H11Cl2F2NO3/c1-9-6-12(10-2-4-13(20)14(21)7-10)17(19(26)27)18(25)24(9)16-5-3-11(22)8-15(16)23/h2-8H,1H3,(H,26,27)
InChIKeyMKIDYESSNUDJQU-UHFFFAOYSA-N
MW410.20 g/mol
LogP5.10
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 169258452) has the molecular formula C19H11Cl2F2NO3 and a molecular weight of 410.20 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID169258452
Molecular FormulaC19H11Cl2F2NO3
Molecular Weight410.20 g/mol
Exact Mass409.01
IUPAC Name4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C19H11Cl2F2NO3/c1-9-6-12(10-2-4-13(20)14(21)7-10)17(19(26)27)18(25)24(9)16-5-3-11(22)8-15(16)23/h2-8H,1H3,(H,26,27)
InChIKeyMKIDYESSNUDJQU-UHFFFAOYSA-N
XLogP5.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.20
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 169258452) is 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(F)cc1F.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is MKIDYESSNUDJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F2NO3/c1-9-6-12(10-2-4-13(20)14(21)7-10)17(19(26)27)18(25)24(9)16-5-3-11(22)8-15(16)23/h2-8H,1H3,(H,26,27).
What are the key properties of 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 410.20 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 169258452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).