pyridazin-3-ylphosphonic acid

C4H5N2O3P — CID 90720384

IUPACpyridazin-3-ylphosphonic acid
SMILESO=P(O)(O)c1cccnn1
InChIInChI=1S/C4H5N2O3P/c7-10(8,9)4-2-1-3-5-6-4/h1-3H,(H2,7,8,9)
InChIKeyWHRRACSIWMUCJD-UHFFFAOYSA-N
MW160.07 g/mol
LogP-0.72
Rot. Bonds1

About pyridazin-3-ylphosphonic acid

pyridazin-3-ylphosphonic acid (PubChem CID 90720384) has the molecular formula C4H5N2O3P and a molecular weight of 160.07 g/mol. Its IUPAC name is pyridazin-3-ylphosphonic acid.

Molecular Properties

Compound Namepyridazin-3-ylphosphonic acid
PubChem CID90720384
Molecular FormulaC4H5N2O3P
Molecular Weight160.07 g/mol
Exact Mass160.00
IUPAC Namepyridazin-3-ylphosphonic acid
SMILESO=P(O)(O)c1cccnn1
InChIInChI=1S/C4H5N2O3P/c7-10(8,9)4-2-1-3-5-6-4/h1-3H,(H2,7,8,9)
InChIKeyWHRRACSIWMUCJD-UHFFFAOYSA-N
XLogP-0.72
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridazin-3-ylphosphonic acid?
The IUPAC name of pyridazin-3-ylphosphonic acid (CID 90720384) is pyridazin-3-ylphosphonic acid.
What is the SMILES notation for pyridazin-3-ylphosphonic acid?
The canonical SMILES for pyridazin-3-ylphosphonic acid is O=P(O)(O)c1cccnn1.
What is the InChIKey of pyridazin-3-ylphosphonic acid?
The InChIKey is WHRRACSIWMUCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O3P/c7-10(8,9)4-2-1-3-5-6-4/h1-3H,(H2,7,8,9).
What are the key properties of pyridazin-3-ylphosphonic acid?
pyridazin-3-ylphosphonic acid has a molecular weight of 160.07 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-ylphosphonic acid is sourced from PubChem (CID 90720384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).