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

C19H12Cl2FNO3 — CID 169258455

IUPAC4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C19H12Cl2FNO3/c1-10-8-14(11-2-7-15(20)16(21)9-11)17(19(25)26)18(24)23(10)13-5-3-12(22)4-6-13/h2-9H,1H3,(H,25,26)
InChIKeyHZASXYCTBQJVLR-UHFFFAOYSA-N
MW392.21 g/mol
LogP4.96
Rot. Bonds3

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

4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 169258455) has the molecular formula C19H12Cl2FNO3 and a molecular weight of 392.21 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID169258455
Molecular FormulaC19H12Cl2FNO3
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC Name4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C19H12Cl2FNO3/c1-10-8-14(11-2-7-15(20)16(21)9-11)17(19(25)26)18(24)23(10)13-5-3-12(22)4-6-13/h2-9H,1H3,(H,25,26)
InChIKeyHZASXYCTBQJVLR-UHFFFAOYSA-N
XLogP4.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 54.96
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-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 169258455) is 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is HZASXYCTBQJVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FNO3/c1-10-8-14(11-2-7-15(20)16(21)9-11)17(19(25)26)18(24)23(10)13-5-3-12(22)4-6-13/h2-9H,1H3,(H,25,26).
What are the key properties of 4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 392.21 g/mol, XLogP of 4.96, 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-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 169258455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).