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

C11H9FN2O3 — CID 54978174

IUPAC1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2cccc(F)c2)C(=O)CC1
InChIInChI=1S/C11H9FN2O3/c12-7-2-1-3-8(6-7)14-10(15)5-4-9(13-14)11(16)17/h1-3,6H,4-5H2,(H,16,17)
InChIKeyFPNHUQVCYMUWJU-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.39
Rot. Bonds2

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

1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 54978174) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID54978174
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(c2cccc(F)c2)C(=O)CC1
InChIInChI=1S/C11H9FN2O3/c12-7-2-1-3-8(6-7)14-10(15)5-4-9(13-14)11(16)17/h1-3,6H,4-5H2,(H,16,17)
InChIKeyFPNHUQVCYMUWJU-UHFFFAOYSA-N
XLogP1.39
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 54978174) is 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(c2cccc(F)c2)C(=O)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is FPNHUQVCYMUWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-7-2-1-3-8(6-7)14-10(15)5-4-9(13-14)11(16)17/h1-3,6H,4-5H2,(H,16,17).
What are the key properties of 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 54978174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).