6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid

C14H13FN2O3 — CID 146405807

IUPAC6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O3/c1-8(2)17-7-11(14(19)20)13(18)12(16-17)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,19,20)
InChIKeyWOXOGPVZUKLUCP-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.33
Rot. Bonds3

About 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid

6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid (PubChem CID 146405807) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
PubChem CID146405807
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O3/c1-8(2)17-7-11(14(19)20)13(18)12(16-17)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,19,20)
InChIKeyWOXOGPVZUKLUCP-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-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 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid (CID 146405807) is 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid is CC(C)n1cc(C(=O)O)c(=O)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The InChIKey is WOXOGPVZUKLUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-8(2)17-7-11(14(19)20)13(18)12(16-17)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,19,20).
What are the key properties of 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-oxo-2-propan-2-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 146405807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).