1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C7H9FN2O3 — CID 80693947

IUPAC1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCF)C(=O)CC1
InChIInChI=1S/C7H9FN2O3/c8-3-4-10-6(11)2-1-5(9-10)7(12)13/h1-4H2,(H,12,13)
InChIKeyFGJYNBQVKLLMIC-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.02
Rot. Bonds3

About 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 80693947) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID80693947
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCF)C(=O)CC1
InChIInChI=1S/C7H9FN2O3/c8-3-4-10-6(11)2-1-5(9-10)7(12)13/h1-4H2,(H,12,13)
InChIKeyFGJYNBQVKLLMIC-UHFFFAOYSA-N
XLogP0.02
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-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-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 80693947) is 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(CCF)C(=O)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is FGJYNBQVKLLMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c8-3-4-10-6(11)2-1-5(9-10)7(12)13/h1-4H2,(H,12,13).
What are the key properties of 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 188.16 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 80693947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).