ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate

C10H11F3N2O3 — CID 11821471

IUPACethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(OCC)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-3-17-7-5-6(10(11,12)13)8(15-14-7)9(16)18-4-2/h5H,3-4H2,1-2H3
InChIKeyOKWNROPIICSVDJ-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.07
Rot. Bonds4

About ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate

ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate (PubChem CID 11821471) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate
PubChem CID11821471
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Nameethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(OCC)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-3-17-7-5-6(10(11,12)13)8(15-14-7)9(16)18-4-2/h5H,3-4H2,1-2H3
InChIKeyOKWNROPIICSVDJ-UHFFFAOYSA-N
XLogP2.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate (CID 11821471) is ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate is CCOC(=O)c1nnc(OCC)cc1C(F)(F)F.
What is the InChIKey of ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate?
The InChIKey is OKWNROPIICSVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-3-17-7-5-6(10(11,12)13)8(15-14-7)9(16)18-4-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate?
ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate has a molecular weight of 264.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(trifluoromethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 11821471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).