5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid

C12H6F2N2O3 — CID 10400556

IUPAC5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H6F2N2O3/c13-6-1-2-10(14)7(3-6)11(17)8-4-15-16-5-9(8)12(18)19/h1-5H,(H,18,19)
InChIKeyZWUHRWHNHIUKMK-UHFFFAOYSA-N
MW264.19 g/mol
LogP1.68
Rot. Bonds3

About 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid

5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid (PubChem CID 10400556) has the molecular formula C12H6F2N2O3 and a molecular weight of 264.19 g/mol. Its IUPAC name is 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid
PubChem CID10400556
Molecular FormulaC12H6F2N2O3
Molecular Weight264.19 g/mol
Exact Mass264.03
IUPAC Name5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H6F2N2O3/c13-6-1-2-10(14)7(3-6)11(17)8-4-15-16-5-9(8)12(18)19/h1-5H,(H,18,19)
InChIKeyZWUHRWHNHIUKMK-UHFFFAOYSA-N
XLogP1.68
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid?
The IUPAC name of 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid (CID 10400556) is 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid is O=C(O)c1cnncc1C(=O)c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid?
The InChIKey is ZWUHRWHNHIUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O3/c13-6-1-2-10(14)7(3-6)11(17)8-4-15-16-5-9(8)12(18)19/h1-5H,(H,18,19).
What are the key properties of 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid?
5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid has a molecular weight of 264.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorobenzoyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 10400556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).