methyl 6-ethenylpyridazine-3-carboxylate

C8H8N2O2 — CID 89183249

IUPACmethyl 6-ethenylpyridazine-3-carboxylate
SMILESC=Cc1ccc(C(=O)OC)nn1
InChIInChI=1S/C8H8N2O2/c1-3-6-4-5-7(10-9-6)8(11)12-2/h3-5H,1H2,2H3
InChIKeyCLWOXEYNXJDTMZ-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.91
Rot. Bonds2

About methyl 6-ethenylpyridazine-3-carboxylate

methyl 6-ethenylpyridazine-3-carboxylate (PubChem CID 89183249) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is methyl 6-ethenylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethenylpyridazine-3-carboxylate
PubChem CID89183249
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Namemethyl 6-ethenylpyridazine-3-carboxylate
SMILESC=Cc1ccc(C(=O)OC)nn1
InChIInChI=1S/C8H8N2O2/c1-3-6-4-5-7(10-9-6)8(11)12-2/h3-5H,1H2,2H3
InChIKeyCLWOXEYNXJDTMZ-UHFFFAOYSA-N
XLogP0.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-ethenylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-ethenylpyridazine-3-carboxylate (CID 89183249) is methyl 6-ethenylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-ethenylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-ethenylpyridazine-3-carboxylate is C=Cc1ccc(C(=O)OC)nn1.
What is the InChIKey of methyl 6-ethenylpyridazine-3-carboxylate?
The InChIKey is CLWOXEYNXJDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-6-4-5-7(10-9-6)8(11)12-2/h3-5H,1H2,2H3.
What are the key properties of methyl 6-ethenylpyridazine-3-carboxylate?
methyl 6-ethenylpyridazine-3-carboxylate has a molecular weight of 164.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethenylpyridazine-3-carboxylate is sourced from PubChem (CID 89183249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).