5-bromo-3-(trifluoromethyl)pyridazine

C5H2BrF3N2 — CID 70865783

IUPAC5-bromo-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cc(Br)cnn1
InChIInChI=1S/C5H2BrF3N2/c6-3-1-4(5(7,8)9)11-10-2-3/h1-2H
InChIKeyAWISUNGLQUODEX-UHFFFAOYSA-N
MW226.98 g/mol
LogP2.26
Rot. Bonds

About 5-bromo-3-(trifluoromethyl)pyridazine

5-bromo-3-(trifluoromethyl)pyridazine (PubChem CID 70865783) has the molecular formula C5H2BrF3N2 and a molecular weight of 226.98 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)pyridazine
PubChem CID70865783
Molecular FormulaC5H2BrF3N2
Molecular Weight226.98 g/mol
Exact Mass225.94
IUPAC Name5-bromo-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cc(Br)cnn1
InChIInChI=1S/C5H2BrF3N2/c6-3-1-4(5(7,8)9)11-10-2-3/h1-2H
InChIKeyAWISUNGLQUODEX-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.98
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethyl)pyridazine?
The IUPAC name of 5-bromo-3-(trifluoromethyl)pyridazine (CID 70865783) is 5-bromo-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)pyridazine is FC(F)(F)c1cc(Br)cnn1.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)pyridazine?
The InChIKey is AWISUNGLQUODEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2/c6-3-1-4(5(7,8)9)11-10-2-3/h1-2H.
What are the key properties of 5-bromo-3-(trifluoromethyl)pyridazine?
5-bromo-3-(trifluoromethyl)pyridazine has a molecular weight of 226.98 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 70865783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).