ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate

C11H12N2O5 — CID 175822501

IUPACethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)C1CNn2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C11H12N2O5/c1-2-18-11(17)6-5-12-13-4-3-7(14)10(16)8(13)9(6)15/h3-4,6,12,16H,2,5H2,1H3
InChIKeyYREIYACGLOKQAC-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.53
Rot. Bonds2

About ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate

ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate (PubChem CID 175822501) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate
PubChem CID175822501
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Nameethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)C1CNn2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C11H12N2O5/c1-2-18-11(17)6-5-12-13-4-3-7(14)10(16)8(13)9(6)15/h3-4,6,12,16H,2,5H2,1H3
InChIKeyYREIYACGLOKQAC-UHFFFAOYSA-N
XLogP-0.53
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate (CID 175822501) is ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate is CCOC(=O)C1CNn2ccc(=O)c(O)c2C1=O.
What is the InChIKey of ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate?
The InChIKey is YREIYACGLOKQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-2-18-11(17)6-5-12-13-4-3-7(14)10(16)8(13)9(6)15/h3-4,6,12,16H,2,5H2,1H3.
What are the key properties of ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate?
ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate has a molecular weight of 252.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-4,6-dioxo-2,3-dihydro-1H-pyrido[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 175822501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).