methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate

C8H9ClN2O4 — CID 71607453

IUPACmethyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate
SMILESCOC(=O)CCOc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C8H9ClN2O4/c1-14-6(12)2-3-15-5-4-10-11-8(13)7(5)9/h4H,2-3H2,1H3,(H,11,13)
InChIKeyVIBQBQJYWWXNBR-UHFFFAOYSA-N
MW232.62 g/mol
LogP0.37
Rot. Bonds4

About methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate

methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate (PubChem CID 71607453) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate
PubChem CID71607453
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Namemethyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate
SMILESCOC(=O)CCOc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C8H9ClN2O4/c1-14-6(12)2-3-15-5-4-10-11-8(13)7(5)9/h4H,2-3H2,1H3,(H,11,13)
InChIKeyVIBQBQJYWWXNBR-UHFFFAOYSA-N
XLogP0.37
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate?
The IUPAC name of methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate (CID 71607453) is methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate.
What is the SMILES notation for methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate?
The canonical SMILES for methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate is COC(=O)CCOc1cn[nH]c(=O)c1Cl.
What is the InChIKey of methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate?
The InChIKey is VIBQBQJYWWXNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c1-14-6(12)2-3-15-5-4-10-11-8(13)7(5)9/h4H,2-3H2,1H3,(H,11,13).
What are the key properties of methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate?
methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate has a molecular weight of 232.62 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxy]propanoate is sourced from PubChem (CID 71607453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).