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

C11H8N2O4 — CID 117127525

IUPAC4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1c(-c2cccc(O)c2)cn[nH]c1=O
InChIInChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)8-5-12-13-10(15)9(8)11(16)17/h1-5,14H,(H,13,15)(H,16,17)
InChIKeySSNDXEOTYWCHEV-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.84
Rot. Bonds2

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

4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 117127525) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID117127525
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESO=C(O)c1c(-c2cccc(O)c2)cn[nH]c1=O
InChIInChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)8-5-12-13-10(15)9(8)11(16)17/h1-5,14H,(H,13,15)(H,16,17)
InChIKeySSNDXEOTYWCHEV-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid (CID 117127525) is 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is O=C(O)c1c(-c2cccc(O)c2)cn[nH]c1=O.
What is the InChIKey of 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is SSNDXEOTYWCHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-7-3-1-2-6(4-7)8-5-12-13-10(15)9(8)11(16)17/h1-5,14H,(H,13,15)(H,16,17).
What are the key properties of 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid?
4-(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 4-(3-hydroxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 117127525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).