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

C8H11FN2O3 — CID 81114223

IUPAC1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCCF)C(=O)CC1
InChIInChI=1S/C8H11FN2O3/c9-4-1-5-11-7(12)3-2-6(10-11)8(13)14/h1-5H2,(H,13,14)
InChIKeyKDFOJKKUDDUYBR-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.41
Rot. Bonds4

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

1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 81114223) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID81114223
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCCF)C(=O)CC1
InChIInChI=1S/C8H11FN2O3/c9-4-1-5-11-7(12)3-2-6(10-11)8(13)14/h1-5H2,(H,13,14)
InChIKeyKDFOJKKUDDUYBR-UHFFFAOYSA-N
XLogP0.41
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 81114223) is 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(CCCF)C(=O)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is KDFOJKKUDDUYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c9-4-1-5-11-7(12)3-2-6(10-11)8(13)14/h1-5H2,(H,13,14).
What are the key properties of 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 202.18 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 81114223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).