4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one

C9H11ClN2O3 — CID 54704159

IUPAC4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1C1CCCCO1
InChIInChI=1S/C9H11ClN2O3/c10-8-6(13)5-11-12(9(8)14)7-3-1-2-4-15-7/h5,7,13H,1-4H2
InChIKeyXZBUPOMTNWZPKD-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.30
Rot. Bonds1

About 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one

4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 54704159) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
PubChem CID54704159
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(O)cnn1C1CCCCO1
InChIInChI=1S/C9H11ClN2O3/c10-8-6(13)5-11-12(9(8)14)7-3-1-2-4-15-7/h5,7,13H,1-4H2
InChIKeyXZBUPOMTNWZPKD-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one (CID 54704159) is 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one is O=c1c(Cl)c(O)cnn1C1CCCCO1.
What is the InChIKey of 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is XZBUPOMTNWZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c10-8-6(13)5-11-12(9(8)14)7-3-1-2-4-15-7/h5,7,13H,1-4H2.
What are the key properties of 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 230.65 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 54704159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).