5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid

C13H10BrClN2O3 — CID 19806948

IUPAC5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid
SMILESCCc1c(Br)c(=O)c(C(=O)O)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O3/c1-2-9-10(14)12(18)11(13(19)20)16-17(9)8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H,19,20)
InChIKeyKYEPCQJMLXRZIO-UHFFFAOYSA-N
MW357.59 g/mol
LogP2.91
Rot. Bonds3

About 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid

5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 19806948) has the molecular formula C13H10BrClN2O3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid
PubChem CID19806948
Molecular FormulaC13H10BrClN2O3
Molecular Weight357.59 g/mol
Exact Mass355.96
IUPAC Name5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid
SMILESCCc1c(Br)c(=O)c(C(=O)O)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O3/c1-2-9-10(14)12(18)11(13(19)20)16-17(9)8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H,19,20)
InChIKeyKYEPCQJMLXRZIO-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(4-chlorophenyl)-6-ethyl-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 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid (CID 19806948) is 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid is CCc1c(Br)c(=O)c(C(=O)O)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is KYEPCQJMLXRZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3/c1-2-9-10(14)12(18)11(13(19)20)16-17(9)8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid?
5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 357.59 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 19806948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).