methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate

C14H14N2O4 — CID 63981532

IUPACmethyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate
SMILESCCOc1cccc(-n2ccc(=O)c(C(=O)OC)n2)c1
InChIInChI=1S/C14H14N2O4/c1-3-20-11-6-4-5-10(9-11)16-8-7-12(17)13(15-16)14(18)19-2/h4-9H,3H2,1-2H3
InChIKeyLSBUNQNUDNZRIO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.42
Rot. Bonds4

About methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate

methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate (PubChem CID 63981532) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate
PubChem CID63981532
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate
SMILESCCOc1cccc(-n2ccc(=O)c(C(=O)OC)n2)c1
InChIInChI=1S/C14H14N2O4/c1-3-20-11-6-4-5-10(9-11)16-8-7-12(17)13(15-16)14(18)19-2/h4-9H,3H2,1-2H3
InChIKeyLSBUNQNUDNZRIO-UHFFFAOYSA-N
XLogP1.42
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate (CID 63981532) is methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate is CCOc1cccc(-n2ccc(=O)c(C(=O)OC)n2)c1.
What is the InChIKey of methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate?
The InChIKey is LSBUNQNUDNZRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-20-11-6-4-5-10(9-11)16-8-7-12(17)13(15-16)14(18)19-2/h4-9H,3H2,1-2H3.
What are the key properties of methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate?
methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 63981532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).