3-chloro-4-hydroxy-1H-pyridazin-6-one

C4H3ClN2O2 — CID 54703162

IUPAC3-chloro-4-hydroxy-1H-pyridazin-6-one
SMILESO=c1cc(O)c(Cl)n[nH]1
InChIInChI=1S/C4H3ClN2O2/c5-4-2(8)1-3(9)6-7-4/h1H,(H2,6,8,9)
InChIKeyMIZFPUXKXUQGBG-UHFFFAOYSA-N
MW146.53 g/mol
LogP0.13
Rot. Bonds

About 3-chloro-4-hydroxy-1H-pyridazin-6-one

3-chloro-4-hydroxy-1H-pyridazin-6-one (PubChem CID 54703162) has the molecular formula C4H3ClN2O2 and a molecular weight of 146.53 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-4-hydroxy-1H-pyridazin-6-one
PubChem CID54703162
Molecular FormulaC4H3ClN2O2
Molecular Weight146.53 g/mol
Exact Mass145.99
IUPAC Name3-chloro-4-hydroxy-1H-pyridazin-6-one
SMILESO=c1cc(O)c(Cl)n[nH]1
InChIInChI=1S/C4H3ClN2O2/c5-4-2(8)1-3(9)6-7-4/h1H,(H2,6,8,9)
InChIKeyMIZFPUXKXUQGBG-UHFFFAOYSA-N
XLogP0.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-4-hydroxy-1H-pyridazin-6-one (CID 54703162) is 3-chloro-4-hydroxy-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-4-hydroxy-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-4-hydroxy-1H-pyridazin-6-one is O=c1cc(O)c(Cl)n[nH]1.
What is the InChIKey of 3-chloro-4-hydroxy-1H-pyridazin-6-one?
The InChIKey is MIZFPUXKXUQGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O2/c5-4-2(8)1-3(9)6-7-4/h1H,(H2,6,8,9).
What are the key properties of 3-chloro-4-hydroxy-1H-pyridazin-6-one?
3-chloro-4-hydroxy-1H-pyridazin-6-one has a molecular weight of 146.53 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-1H-pyridazin-6-one is sourced from PubChem (CID 54703162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).