4-bromo-3,6-dichloropyridazine

C4HBrCl2N2 — CID 22030648

IUPAC4-bromo-3,6-dichloropyridazine
SMILESClc1cc(Br)c(Cl)nn1
InChIInChI=1S/C4HBrCl2N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKeyXAXKZIUQIROVNV-UHFFFAOYSA-N
MW227.88 g/mol
LogP2.55
Rot. Bonds

About 4-bromo-3,6-dichloropyridazine

4-bromo-3,6-dichloropyridazine (PubChem CID 22030648) has the molecular formula C4HBrCl2N2 and a molecular weight of 227.88 g/mol. Its IUPAC name is 4-bromo-3,6-dichloropyridazine.

Molecular Properties

Compound Name4-bromo-3,6-dichloropyridazine
PubChem CID22030648
Molecular FormulaC4HBrCl2N2
Molecular Weight227.88 g/mol
Exact Mass225.87
IUPAC Name4-bromo-3,6-dichloropyridazine
SMILESClc1cc(Br)c(Cl)nn1
InChIInChI=1S/C4HBrCl2N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKeyXAXKZIUQIROVNV-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.88
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,6-dichloropyridazine?
The IUPAC name of 4-bromo-3,6-dichloropyridazine (CID 22030648) is 4-bromo-3,6-dichloropyridazine.
What is the SMILES notation for 4-bromo-3,6-dichloropyridazine?
The canonical SMILES for 4-bromo-3,6-dichloropyridazine is Clc1cc(Br)c(Cl)nn1.
What is the InChIKey of 4-bromo-3,6-dichloropyridazine?
The InChIKey is XAXKZIUQIROVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrCl2N2/c5-2-1-3(6)8-9-4(2)7/h1H.
What are the key properties of 4-bromo-3,6-dichloropyridazine?
4-bromo-3,6-dichloropyridazine has a molecular weight of 227.88 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,6-dichloropyridazine is sourced from PubChem (CID 22030648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).