6-(2-hydroxyanilino)pyridazine-4-carboxylic acid

C11H9N3O3 — CID 136965896

IUPAC6-(2-hydroxyanilino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnnc(Nc2ccccc2O)c1
InChIInChI=1S/C11H9N3O3/c15-9-4-2-1-3-8(9)13-10-5-7(11(16)17)6-12-14-10/h1-6,15H,(H,13,14)(H,16,17)
InChIKeySPOJWFGYZIJZBP-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.62
Rot. Bonds3

About 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid

6-(2-hydroxyanilino)pyridazine-4-carboxylic acid (PubChem CID 136965896) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxyanilino)pyridazine-4-carboxylic acid
PubChem CID136965896
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(2-hydroxyanilino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnnc(Nc2ccccc2O)c1
InChIInChI=1S/C11H9N3O3/c15-9-4-2-1-3-8(9)13-10-5-7(11(16)17)6-12-14-10/h1-6,15H,(H,13,14)(H,16,17)
InChIKeySPOJWFGYZIJZBP-UHFFFAOYSA-N
XLogP1.62
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid?
The IUPAC name of 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid (CID 136965896) is 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid?
The canonical SMILES for 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid is O=C(O)c1cnnc(Nc2ccccc2O)c1.
What is the InChIKey of 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid?
The InChIKey is SPOJWFGYZIJZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-9-4-2-1-3-8(9)13-10-5-7(11(16)17)6-12-14-10/h1-6,15H,(H,13,14)(H,16,17).
What are the key properties of 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid?
6-(2-hydroxyanilino)pyridazine-4-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyanilino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 136965896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).