5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine

C11H8F3N3O2 — CID 18994133

IUPAC5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine
SMILESCOc1cnnc(Oc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H8F3N3O2/c1-18-7-5-10(17-15-6-7)19-9-4-2-3-8(16-9)11(12,13)14/h2-6H,1H3
InChIKeyLLGDWCLFQZQZDN-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.69
Rot. Bonds3

About 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine

5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine (PubChem CID 18994133) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine.

Molecular Properties

Compound Name5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine
PubChem CID18994133
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine
SMILESCOc1cnnc(Oc2cccc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H8F3N3O2/c1-18-7-5-10(17-15-6-7)19-9-4-2-3-8(16-9)11(12,13)14/h2-6H,1H3
InChIKeyLLGDWCLFQZQZDN-UHFFFAOYSA-N
XLogP2.69
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine?
The IUPAC name of 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine (CID 18994133) is 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine.
What is the SMILES notation for 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine?
The canonical SMILES for 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine is COc1cnnc(Oc2cccc(C(F)(F)F)n2)c1.
What is the InChIKey of 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine?
The InChIKey is LLGDWCLFQZQZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-18-7-5-10(17-15-6-7)19-9-4-2-3-8(16-9)11(12,13)14/h2-6H,1H3.
What are the key properties of 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine?
5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine has a molecular weight of 271.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pyridazine is sourced from PubChem (CID 18994133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).