3,4,6-tribromopyridazine

C4HBr3N2 — CID 57345829

IUPAC3,4,6-tribromopyridazine
SMILESBrc1cc(Br)c(Br)nn1
InChIInChI=1S/C4HBr3N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKeyZRPHMOREEBHHIM-UHFFFAOYSA-N
MW316.78 g/mol
LogP2.76
Rot. Bonds

About 3,4,6-tribromopyridazine

3,4,6-tribromopyridazine (PubChem CID 57345829) has the molecular formula C4HBr3N2 and a molecular weight of 316.78 g/mol. Its IUPAC name is 3,4,6-tribromopyridazine.

Molecular Properties

Compound Name3,4,6-tribromopyridazine
PubChem CID57345829
Molecular FormulaC4HBr3N2
Molecular Weight316.78 g/mol
Exact Mass313.77
IUPAC Name3,4,6-tribromopyridazine
SMILESBrc1cc(Br)c(Br)nn1
InChIInChI=1S/C4HBr3N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKeyZRPHMOREEBHHIM-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-tribromopyridazine?
The IUPAC name of 3,4,6-tribromopyridazine (CID 57345829) is 3,4,6-tribromopyridazine.
What is the SMILES notation for 3,4,6-tribromopyridazine?
The canonical SMILES for 3,4,6-tribromopyridazine is Brc1cc(Br)c(Br)nn1.
What is the InChIKey of 3,4,6-tribromopyridazine?
The InChIKey is ZRPHMOREEBHHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBr3N2/c5-2-1-3(6)8-9-4(2)7/h1H.
What are the key properties of 3,4,6-tribromopyridazine?
3,4,6-tribromopyridazine has a molecular weight of 316.78 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-tribromopyridazine is sourced from PubChem (CID 57345829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).