5-methoxy-3-(trifluoromethyl)pyridazine

C6H5F3N2O — CID 135393061

IUPAC5-methoxy-3-(trifluoromethyl)pyridazine
SMILESCOc1cnnc(C(F)(F)F)c1
InChIInChI=1S/C6H5F3N2O/c1-12-4-2-5(6(7,8)9)11-10-3-4/h2-3H,1H3
InChIKeyGFVQVQVAEDHCKZ-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.50
Rot. Bonds1

About 5-methoxy-3-(trifluoromethyl)pyridazine

5-methoxy-3-(trifluoromethyl)pyridazine (PubChem CID 135393061) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethyl)pyridazine
PubChem CID135393061
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name5-methoxy-3-(trifluoromethyl)pyridazine
SMILESCOc1cnnc(C(F)(F)F)c1
InChIInChI=1S/C6H5F3N2O/c1-12-4-2-5(6(7,8)9)11-10-3-4/h2-3H,1H3
InChIKeyGFVQVQVAEDHCKZ-UHFFFAOYSA-N
XLogP1.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethyl)pyridazine?
The IUPAC name of 5-methoxy-3-(trifluoromethyl)pyridazine (CID 135393061) is 5-methoxy-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 5-methoxy-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 5-methoxy-3-(trifluoromethyl)pyridazine is COc1cnnc(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-3-(trifluoromethyl)pyridazine?
The InChIKey is GFVQVQVAEDHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-12-4-2-5(6(7,8)9)11-10-3-4/h2-3H,1H3.
What are the key properties of 5-methoxy-3-(trifluoromethyl)pyridazine?
5-methoxy-3-(trifluoromethyl)pyridazine has a molecular weight of 178.11 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 135393061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).