3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C11H8N2O4 — CID 90994241

IUPAC3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)n[nH]c1=O
InChIInChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)9-5-8(11(16)17)10(15)13-12-9/h1-5,14H,(H,13,15)(H,16,17)
InChIKeyMPQLJSWEAYETKF-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.84
Rot. Bonds2

About 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 90994241) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID90994241
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(O)c2)n[nH]c1=O
InChIInChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)9-5-8(11(16)17)10(15)13-12-9/h1-5,14H,(H,13,15)(H,16,17)
InChIKeyMPQLJSWEAYETKF-UHFFFAOYSA-N
XLogP0.84
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
6-oxo-3-thiophen-3-yl-1H-pyridazine-5-carboxylic acid
CID 91392997
3-(3-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 136660992
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
CID 91190343
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
6-oxo-3-(4-propan-2-yloxyphenyl)-1H-pyridazine-5-carboxylic acid
CID 82446124
5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
CID 115043513
4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127525
3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
CID 118099844
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 90994241) is 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1cc(-c2cccc(O)c2)n[nH]c1=O.
What is the InChIKey of 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is MPQLJSWEAYETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)9-5-8(11(16)17)10(15)13-12-9/h1-5,14H,(H,13,15)(H,16,17).
What are the key properties of 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 90994241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).