5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one

C11H9FN2O3 — CID 126603889

IUPAC5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one
SMILESCOc1c(-c2ccc(F)cc2)cnn(O)c1=O
InChIInChI=1S/C11H9FN2O3/c1-17-10-9(6-13-14(16)11(10)15)7-2-4-8(12)5-3-7/h2-6,16H,1H3
InChIKeyHCWMUVTZPRTKSN-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.30
Rot. Bonds2

About 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one

5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one (PubChem CID 126603889) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one
PubChem CID126603889
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one
SMILESCOc1c(-c2ccc(F)cc2)cnn(O)c1=O
InChIInChI=1S/C11H9FN2O3/c1-17-10-9(6-13-14(16)11(10)15)7-2-4-8(12)5-3-7/h2-6,16H,1H3
InChIKeyHCWMUVTZPRTKSN-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one?
The IUPAC name of 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one (CID 126603889) is 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one is COc1c(-c2ccc(F)cc2)cnn(O)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one?
The InChIKey is HCWMUVTZPRTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-17-10-9(6-13-14(16)11(10)15)7-2-4-8(12)5-3-7/h2-6,16H,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one?
5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one has a molecular weight of 236.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-hydroxy-4-methoxypyridazin-3-one is sourced from PubChem (CID 126603889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).