1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

C12H7BrF2N2O3 — CID 43347876

IUPAC1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H7BrF2N2O3/c1-5-2-9(18)10(12(19)20)16-17(5)11-7(13)3-6(14)4-8(11)15/h2-4H,1H3,(H,19,20)
InChIKeyZOZUGWMUAHNUEM-UHFFFAOYSA-N
MW345.10 g/mol
LogP2.28
Rot. Bonds2

About 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 43347876) has the molecular formula C12H7BrF2N2O3 and a molecular weight of 345.10 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
PubChem CID43347876
Molecular FormulaC12H7BrF2N2O3
Molecular Weight345.10 g/mol
Exact Mass343.96
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H7BrF2N2O3/c1-5-2-9(18)10(12(19)20)16-17(5)11-7(13)3-6(14)4-8(11)15/h2-4H,1H3,(H,19,20)
InChIKeyZOZUGWMUAHNUEM-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.10
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (CID 43347876) is 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)nn1-c1c(F)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is ZOZUGWMUAHNUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O3/c1-5-2-9(18)10(12(19)20)16-17(5)11-7(13)3-6(14)4-8(11)15/h2-4H,1H3,(H,19,20).
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 345.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 43347876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).