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

C20H13Cl2F2NO3 — CID 169258437

IUPAC4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1Cc1ccc(F)cc1F
InChIInChI=1S/C20H13Cl2F2NO3/c1-10-6-14(11-3-5-15(21)16(22)7-11)18(20(27)28)19(26)25(10)9-12-2-4-13(23)8-17(12)24/h2-8H,9H2,1H3,(H,27,28)
InChIKeyWAOXXUHSNLDUCU-UHFFFAOYSA-N
MW424.23 g/mol
LogP5.16
Rot. Bonds4

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

4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 169258437) has the molecular formula C20H13Cl2F2NO3 and a molecular weight of 424.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID169258437
Molecular FormulaC20H13Cl2F2NO3
Molecular Weight424.23 g/mol
Exact Mass423.02
IUPAC Name4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1Cc1ccc(F)cc1F
InChIInChI=1S/C20H13Cl2F2NO3/c1-10-6-14(11-3-5-15(21)16(22)7-11)18(20(27)28)19(26)25(10)9-12-2-4-13(23)8-17(12)24/h2-8H,9H2,1H3,(H,27,28)
InChIKeyWAOXXUHSNLDUCU-UHFFFAOYSA-N
XLogP5.16
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.23
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dichlorobenzyl)-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2764018
N-[3-(3,4-dichlorophenyl)propyl]-6-(3,5-difluorophenyl)-3-hydroxy-1-methyl-2-methylidenepyridine-4-carboxamide
CID 122691890
2-(3,4-Dichlorophenyl)-5-(3,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163387947
5-(3-Chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163387965
2-(3,4-Dichlorophenyl)-1-ethyl-6-methyl-4-oxo-5-(3,4,5-trifluorophenyl)pyridine-3-carboxylic acid
CID 163388000
5-(4-Chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388002
5-(3-Chloro-5-fluorophenyl)-2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388064
2-(3,4-Dichlorophenyl)-5-(2,4-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388072
2-(3,4-Dichlorophenyl)-5-(3,5-difluorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388102
5-(5-Chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388127
5-(3-Chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388155
5-(4-Chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid
CID 163388157

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 169258437) is 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1Cc1ccc(F)cc1F.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is WAOXXUHSNLDUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2NO3/c1-10-6-14(11-3-5-15(21)16(22)7-11)18(20(27)28)19(26)25(10)9-12-2-4-13(23)8-17(12)24/h2-8H,9H2,1H3,(H,27,28).
What are the key properties of 4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
4-(3,4-dichlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 424.23 g/mol, XLogP of 5.16, 4 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)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 169258437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).