3,4-dibromo-6-(trifluoromethyl)pyridazine

C5HBr2F3N2 — CID 59233385

IUPAC3,4-dibromo-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cc(Br)c(Br)nn1
InChIInChI=1S/C5HBr2F3N2/c6-2-1-3(5(8,9)10)11-12-4(2)7/h1H
InChIKeyNRHAURZCUNKMEV-UHFFFAOYSA-N
MW305.88 g/mol
LogP3.02
Rot. Bonds

About 3,4-dibromo-6-(trifluoromethyl)pyridazine

3,4-dibromo-6-(trifluoromethyl)pyridazine (PubChem CID 59233385) has the molecular formula C5HBr2F3N2 and a molecular weight of 305.88 g/mol. Its IUPAC name is 3,4-dibromo-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3,4-dibromo-6-(trifluoromethyl)pyridazine
PubChem CID59233385
Molecular FormulaC5HBr2F3N2
Molecular Weight305.88 g/mol
Exact Mass303.85
IUPAC Name3,4-dibromo-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cc(Br)c(Br)nn1
InChIInChI=1S/C5HBr2F3N2/c6-2-1-3(5(8,9)10)11-12-4(2)7/h1H
InChIKeyNRHAURZCUNKMEV-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.88
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3,4-dibromo-6-(trifluoromethyl)pyridazine (CID 59233385) is 3,4-dibromo-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3,4-dibromo-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3,4-dibromo-6-(trifluoromethyl)pyridazine is FC(F)(F)c1cc(Br)c(Br)nn1.
What is the InChIKey of 3,4-dibromo-6-(trifluoromethyl)pyridazine?
The InChIKey is NRHAURZCUNKMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBr2F3N2/c6-2-1-3(5(8,9)10)11-12-4(2)7/h1H.
What are the key properties of 3,4-dibromo-6-(trifluoromethyl)pyridazine?
3,4-dibromo-6-(trifluoromethyl)pyridazine has a molecular weight of 305.88 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 59233385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).