6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine

C7H6ClF3N2O — CID 154725896

IUPAC6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine
SMILESCCOc1cc(Cl)nnc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c1-2-14-4-3-5(8)12-13-6(4)7(9,10)11/h3H,2H2,1H3
InChIKeyHOSSIFICQQOFIO-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.55
Rot. Bonds2

About 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine

6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine (PubChem CID 154725896) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine
PubChem CID154725896
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine
SMILESCCOc1cc(Cl)nnc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c1-2-14-4-3-5(8)12-13-6(4)7(9,10)11/h3H,2H2,1H3
InChIKeyHOSSIFICQQOFIO-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine?
The IUPAC name of 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine (CID 154725896) is 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine is CCOc1cc(Cl)nnc1C(F)(F)F.
What is the InChIKey of 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine?
The InChIKey is HOSSIFICQQOFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c1-2-14-4-3-5(8)12-13-6(4)7(9,10)11/h3H,2H2,1H3.
What are the key properties of 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine?
6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine has a molecular weight of 226.58 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethoxy-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 154725896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).