ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate

C15H12N2O4 — CID 71123831

IUPACethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3occc3c2)n[nH]c1=O
InChIInChI=1S/C15H12N2O4/c1-2-20-15(19)11-8-12(16-17-14(11)18)9-3-4-13-10(7-9)5-6-21-13/h3-8H,2H2,1H3,(H,17,18)
InChIKeyLRICJFYHJWSUSO-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.36
Rot. Bonds3

About ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate

ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate (PubChem CID 71123831) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate
PubChem CID71123831
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Nameethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3occc3c2)n[nH]c1=O
InChIInChI=1S/C15H12N2O4/c1-2-20-15(19)11-8-12(16-17-14(11)18)9-3-4-13-10(7-9)5-6-21-13/h3-8H,2H2,1H3,(H,17,18)
InChIKeyLRICJFYHJWSUSO-UHFFFAOYSA-N
XLogP2.36
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 121205182
ethyl 4-(1-benzofuran-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;hydrochloride
CID 67956067
ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
CID 173155122
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 3-(difluoromethyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 135201369
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
ethyl 7-(4-methylphenyl)-2-oxochromene-3-carboxylate
CID 50994673
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 154729406
ethyl 2-chloro-5-(5-cyclopropyl-1H-pyrazol-3-yl)benzoate
CID 58818183
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate?
The IUPAC name of ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate (CID 71123831) is ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate.
What is the SMILES notation for ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate?
The canonical SMILES for ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate is CCOC(=O)c1cc(-c2ccc3occc3c2)n[nH]c1=O.
What is the InChIKey of ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate?
The InChIKey is LRICJFYHJWSUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-2-20-15(19)11-8-12(16-17-14(11)18)9-3-4-13-10(7-9)5-6-21-13/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate?
ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate is sourced from PubChem (CID 71123831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).