2-hydroxy-2-pyridazin-3-ylacetic acid

C6H6N2O3 — CID 154106731

IUPAC2-hydroxy-2-pyridazin-3-ylacetic acid
SMILESO=C(O)C(O)c1cccnn1
InChIInChI=1S/C6H6N2O3/c9-5(6(10)11)4-2-1-3-7-8-4/h1-3,5,9H,(H,10,11)
InChIKeyMZNXOAFZCOFXIJ-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.41
Rot. Bonds2

About 2-hydroxy-2-pyridazin-3-ylacetic acid

2-hydroxy-2-pyridazin-3-ylacetic acid (PubChem CID 154106731) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-hydroxy-2-pyridazin-3-ylacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-pyridazin-3-ylacetic acid
PubChem CID154106731
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-hydroxy-2-pyridazin-3-ylacetic acid
SMILESO=C(O)C(O)c1cccnn1
InChIInChI=1S/C6H6N2O3/c9-5(6(10)11)4-2-1-3-7-8-4/h1-3,5,9H,(H,10,11)
InChIKeyMZNXOAFZCOFXIJ-UHFFFAOYSA-N
XLogP-0.41
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-pyridazin-3-ylacetic acid?
The IUPAC name of 2-hydroxy-2-pyridazin-3-ylacetic acid (CID 154106731) is 2-hydroxy-2-pyridazin-3-ylacetic acid.
What is the SMILES notation for 2-hydroxy-2-pyridazin-3-ylacetic acid?
The canonical SMILES for 2-hydroxy-2-pyridazin-3-ylacetic acid is O=C(O)C(O)c1cccnn1.
What is the InChIKey of 2-hydroxy-2-pyridazin-3-ylacetic acid?
The InChIKey is MZNXOAFZCOFXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-5(6(10)11)4-2-1-3-7-8-4/h1-3,5,9H,(H,10,11).
What are the key properties of 2-hydroxy-2-pyridazin-3-ylacetic acid?
2-hydroxy-2-pyridazin-3-ylacetic acid has a molecular weight of 154.12 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-pyridazin-3-ylacetic acid is sourced from PubChem (CID 154106731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).