3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one

C13H11ClN2O3 — CID 54281481

IUPAC3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one
SMILESCC(=O)Cc1cc(Oc2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C13H11ClN2O3/c1-8(17)6-9-7-12(15-16-13(9)18)19-11-4-2-10(14)3-5-11/h2-5,7H,6H2,1H3,(H,16,18)
InChIKeyRRBWTPAZVAZDCY-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.35
Rot. Bonds4

About 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one

3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one (PubChem CID 54281481) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one
PubChem CID54281481
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one
SMILESCC(=O)Cc1cc(Oc2ccc(Cl)cc2)n[nH]c1=O
InChIInChI=1S/C13H11ClN2O3/c1-8(17)6-9-7-12(15-16-13(9)18)19-11-4-2-10(14)3-5-11/h2-5,7H,6H2,1H3,(H,16,18)
InChIKeyRRBWTPAZVAZDCY-UHFFFAOYSA-N
XLogP2.35
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one (CID 54281481) is 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one is CC(=O)Cc1cc(Oc2ccc(Cl)cc2)n[nH]c1=O.
What is the InChIKey of 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one?
The InChIKey is RRBWTPAZVAZDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8(17)6-9-7-12(15-16-13(9)18)19-11-4-2-10(14)3-5-11/h2-5,7H,6H2,1H3,(H,16,18).
What are the key properties of 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one?
3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one has a molecular weight of 278.69 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-5-(2-oxopropyl)-1H-pyridazin-6-one is sourced from PubChem (CID 54281481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).