5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid

C15H15FN2O3 — CID 80517967

IUPAC5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid
SMILESCCc1nnc(Oc2cccc(F)c2)c(C(=O)O)c1CC
InChIInChI=1S/C15H15FN2O3/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)21-10-7-5-6-9(16)8-10/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyZSNOBWNTDBKBQX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.23
Rot. Bonds5

About 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid

5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid (PubChem CID 80517967) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid
PubChem CID80517967
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid
SMILESCCc1nnc(Oc2cccc(F)c2)c(C(=O)O)c1CC
InChIInChI=1S/C15H15FN2O3/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)21-10-7-5-6-9(16)8-10/h5-8H,3-4H2,1-2H3,(H,19,20)
InChIKeyZSNOBWNTDBKBQX-UHFFFAOYSA-N
XLogP3.23
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-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 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid (CID 80517967) is 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid is CCc1nnc(Oc2cccc(F)c2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid?
The InChIKey is ZSNOBWNTDBKBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-3-11-12(4-2)17-18-14(13(11)15(19)20)21-10-7-5-6-9(16)8-10/h5-8H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(3-fluorophenoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).