methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate

C13H12N2O4 — CID 806216

IUPACmethyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate
SMILESCOC(=O)COc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O4/c1-18-13(17)9-19-11-7-8-12(16)15(14-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYBLVUWMVDMLCLQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.78
Rot. Bonds4

About methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate

methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate (PubChem CID 806216) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate
PubChem CID806216
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate
SMILESCOC(=O)COc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O4/c1-18-13(17)9-19-11-7-8-12(16)15(14-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYBLVUWMVDMLCLQ-UHFFFAOYSA-N
XLogP0.78
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate?
The IUPAC name of methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate (CID 806216) is methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate.
What is the SMILES notation for methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate?
The canonical SMILES for methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate is COC(=O)COc1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate?
The InChIKey is YBLVUWMVDMLCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-13(17)9-19-11-7-8-12(16)15(14-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate?
methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate has a molecular weight of 260.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate is sourced from PubChem (CID 806216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).