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

C9H9F3N2O3 — CID 75501044

IUPACethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-3-4-7(14-13-6)17-5-9(10,11)12/h3-4H,2,5H2,1H3
InChIKeyDSBUVBRLVAOIPZ-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.59
Rot. Bonds4

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

ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (PubChem CID 75501044) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
PubChem CID75501044
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Nameethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-3-4-7(14-13-6)17-5-9(10,11)12/h3-4H,2,5H2,1H3
InChIKeyDSBUVBRLVAOIPZ-UHFFFAOYSA-N
XLogP1.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (CID 75501044) is ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate is CCOC(=O)c1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The InChIKey is DSBUVBRLVAOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-3-4-7(14-13-6)17-5-9(10,11)12/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate has a molecular weight of 250.18 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate is sourced from PubChem (CID 75501044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).