methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate

C8H7F3N2O3 — CID 86786212

IUPACmethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C8H7F3N2O3/c1-15-7(14)5-2-3-6(13-12-5)16-4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyJQWFARXBKGPMHL-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.20
Rot. Bonds3

About methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate

methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (PubChem CID 86786212) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
PubChem CID86786212
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Namemethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C8H7F3N2O3/c1-15-7(14)5-2-3-6(13-12-5)16-4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyJQWFARXBKGPMHL-UHFFFAOYSA-N
XLogP1.20
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (CID 86786212) is methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate is COC(=O)c1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The InChIKey is JQWFARXBKGPMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-15-7(14)5-2-3-6(13-12-5)16-4-8(9,10)11/h2-3H,4H2,1H3.
What are the key properties of methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate has a molecular weight of 236.15 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate is sourced from PubChem (CID 86786212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).