5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid

C12H7FN2O3 — CID 12958912

IUPAC5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(=O)c1ccccc1F
InChIInChI=1S/C12H7FN2O3/c13-10-4-2-1-3-7(10)11(16)8-5-14-15-6-9(8)12(17)18/h1-6H,(H,17,18)
InChIKeyXJLZXXBIKKHOSL-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.54
Rot. Bonds3

About 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid

5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid (PubChem CID 12958912) has the molecular formula C12H7FN2O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid
PubChem CID12958912
Molecular FormulaC12H7FN2O3
Molecular Weight246.20 g/mol
Exact Mass246.04
IUPAC Name5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(=O)c1ccccc1F
InChIInChI=1S/C12H7FN2O3/c13-10-4-2-1-3-7(10)11(16)8-5-14-15-6-9(8)12(17)18/h1-6H,(H,17,18)
InChIKeyXJLZXXBIKKHOSL-UHFFFAOYSA-N
XLogP1.54
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid?
The IUPAC name of 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid (CID 12958912) is 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid is O=C(O)c1cnncc1C(=O)c1ccccc1F.
What is the InChIKey of 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid?
The InChIKey is XJLZXXBIKKHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3/c13-10-4-2-1-3-7(10)11(16)8-5-14-15-6-9(8)12(17)18/h1-6H,(H,17,18).
What are the key properties of 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid?
5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid has a molecular weight of 246.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 12958912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).