5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid

C12H9N3O4 — CID 135750149

IUPAC5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(=O)Nc1ccccc1O
InChIInChI=1S/C12H9N3O4/c16-10-4-2-1-3-9(10)15-11(17)7-5-13-14-6-8(7)12(18)19/h1-6,16H,(H,15,17)(H,18,19)
InChIKeyOTZXQDBVSHZMLC-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.13
Rot. Bonds3

About 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid

5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid (PubChem CID 135750149) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid
PubChem CID135750149
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(=O)Nc1ccccc1O
InChIInChI=1S/C12H9N3O4/c16-10-4-2-1-3-9(10)15-11(17)7-5-13-14-6-8(7)12(18)19/h1-6,16H,(H,15,17)(H,18,19)
InChIKeyOTZXQDBVSHZMLC-UHFFFAOYSA-N
XLogP1.13
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.13
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 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid?
The IUPAC name of 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid (CID 135750149) is 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid is O=C(O)c1cnncc1C(=O)Nc1ccccc1O.
What is the InChIKey of 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid?
The InChIKey is OTZXQDBVSHZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-10-4-2-1-3-9(10)15-11(17)7-5-13-14-6-8(7)12(18)19/h1-6,16H,(H,15,17)(H,18,19).
What are the key properties of 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid?
5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 135750149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).