6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one

C13H13ClN2O3 — CID 3052577

IUPAC6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1nc(Oc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C13H13ClN2O3/c1-9(17)8-16-13(18)7-6-12(15-16)19-11-4-2-10(14)3-5-11/h2-7,9,17H,8H2,1H3
InChIKeyVZKLKIJFGVOYLR-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.07
Rot. Bonds4

About 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one

6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one (PubChem CID 3052577) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one
PubChem CID3052577
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1nc(Oc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C13H13ClN2O3/c1-9(17)8-16-13(18)7-6-12(15-16)19-11-4-2-10(14)3-5-11/h2-7,9,17H,8H2,1H3
InChIKeyVZKLKIJFGVOYLR-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one (CID 3052577) is 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one is CC(O)Cn1nc(Oc2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
The InChIKey is VZKLKIJFGVOYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-9(17)8-16-13(18)7-6-12(15-16)19-11-4-2-10(14)3-5-11/h2-7,9,17H,8H2,1H3.
What are the key properties of 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one?
6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one has a molecular weight of 280.71 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 3052577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).