ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate

C9H12N2O5 — CID 580909

IUPACethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate
SMILESCCOC(=O)COn1nc(OC)ccc1=O
InChIInChI=1S/C9H12N2O5/c1-3-15-9(13)6-16-11-8(12)5-4-7(10-11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyKBRWBNOAKCVNMO-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.76
Rot. Bonds5

About ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate

ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate (PubChem CID 580909) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate
PubChem CID580909
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Nameethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate
SMILESCCOC(=O)COn1nc(OC)ccc1=O
InChIInChI=1S/C9H12N2O5/c1-3-15-9(13)6-16-11-8(12)5-4-7(10-11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyKBRWBNOAKCVNMO-UHFFFAOYSA-N
XLogP-0.76
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate?
The IUPAC name of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate (CID 580909) is ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate?
The canonical SMILES for ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate is CCOC(=O)COn1nc(OC)ccc1=O.
What is the InChIKey of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate?
The InChIKey is KBRWBNOAKCVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-3-15-9(13)6-16-11-8(12)5-4-7(10-11)14-2/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate?
ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate has a molecular weight of 228.20 g/mol, XLogP of -0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxy-6-oxopyridazin-1-yl)oxyacetate is sourced from PubChem (CID 580909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).