3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine

C11H7BrF3N3O — CID 166089056

IUPAC3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(COc2cccc(Br)n2)nn1
InChIInChI=1S/C11H7BrF3N3O/c12-9-2-1-3-10(16-9)19-6-7-4-5-8(18-17-7)11(13,14)15/h1-5H,6H2
InChIKeyORLYQVYYXRFCAZ-UHFFFAOYSA-N
MW334.10 g/mol
LogP3.23
Rot. Bonds3

About 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine

3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine (PubChem CID 166089056) has the molecular formula C11H7BrF3N3O and a molecular weight of 334.10 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine
PubChem CID166089056
Molecular FormulaC11H7BrF3N3O
Molecular Weight334.10 g/mol
Exact Mass332.97
IUPAC Name3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(COc2cccc(Br)n2)nn1
InChIInChI=1S/C11H7BrF3N3O/c12-9-2-1-3-10(16-9)19-6-7-4-5-8(18-17-7)11(13,14)15/h1-5H,6H2
InChIKeyORLYQVYYXRFCAZ-UHFFFAOYSA-N
XLogP3.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine (CID 166089056) is 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(COc2cccc(Br)n2)nn1.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine?
The InChIKey is ORLYQVYYXRFCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O/c12-9-2-1-3-10(16-9)19-6-7-4-5-8(18-17-7)11(13,14)15/h1-5H,6H2.
What are the key properties of 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine?
3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine has a molecular weight of 334.10 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 166089056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).