methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate

C14H13N3O4 — CID 122554528

IUPACmethyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(C(=O)OC)nn2)nc1
InChIInChI=1S/C14H13N3O4/c1-3-21-13(18)9-4-5-10(15-8-9)11-6-7-12(17-16-11)14(19)20-2/h4-8H,3H2,1-2H3
InChIKeyBOKDYRLHLWRPRY-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.50
Rot. Bonds4

About methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate

methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate (PubChem CID 122554528) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
PubChem CID122554528
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Namemethyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(C(=O)OC)nn2)nc1
InChIInChI=1S/C14H13N3O4/c1-3-21-13(18)9-4-5-10(15-8-9)11-6-7-12(17-16-11)14(19)20-2/h4-8H,3H2,1-2H3
InChIKeyBOKDYRLHLWRPRY-UHFFFAOYSA-N
XLogP1.50
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate (CID 122554528) is methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc(C(=O)OC)nn2)nc1.
What is the InChIKey of methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate?
The InChIKey is BOKDYRLHLWRPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-3-21-13(18)9-4-5-10(15-8-9)11-6-7-12(17-16-11)14(19)20-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate?
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate is sourced from PubChem (CID 122554528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).