3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

C12H10N2O4 — CID 136500189

IUPAC3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c(=O)[nH]n2)ccc1O
InChIInChI=1S/C12H10N2O4/c1-6-4-7(2-3-10(6)15)9-5-8(12(17)18)11(16)14-13-9/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyGSOXQCZAIKLISW-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.15
Rot. Bonds2

About 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid

3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 136500189) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID136500189
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c(=O)[nH]n2)ccc1O
InChIInChI=1S/C12H10N2O4/c1-6-4-7(2-3-10(6)15)9-5-8(12(17)18)11(16)14-13-9/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyGSOXQCZAIKLISW-UHFFFAOYSA-N
XLogP1.15
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 136500189) is 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is Cc1cc(-c2cc(C(=O)O)c(=O)[nH]n2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is GSOXQCZAIKLISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-6-4-7(2-3-10(6)15)9-5-8(12(17)18)11(16)14-13-9/h2-5,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 136500189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).