3-bromo-6-iodopyridazine

C4H2BrIN2 — CID 119084293

IUPAC3-bromo-6-iodopyridazine
SMILESBrc1ccc(I)nn1
InChIInChI=1S/C4H2BrIN2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKeyFPTLRGGAEAETIX-UHFFFAOYSA-N
MW284.88 g/mol
LogP1.84
Rot. Bonds

About 3-bromo-6-iodopyridazine

3-bromo-6-iodopyridazine (PubChem CID 119084293) has the molecular formula C4H2BrIN2 and a molecular weight of 284.88 g/mol. Its IUPAC name is 3-bromo-6-iodopyridazine.

Molecular Properties

Compound Name3-bromo-6-iodopyridazine
PubChem CID119084293
Molecular FormulaC4H2BrIN2
Molecular Weight284.88 g/mol
Exact Mass283.84
IUPAC Name3-bromo-6-iodopyridazine
SMILESBrc1ccc(I)nn1
InChIInChI=1S/C4H2BrIN2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKeyFPTLRGGAEAETIX-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.88
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-bromo-6-iodopyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-iodopyridazine?
The IUPAC name of 3-bromo-6-iodopyridazine (CID 119084293) is 3-bromo-6-iodopyridazine.
What is the SMILES notation for 3-bromo-6-iodopyridazine?
The canonical SMILES for 3-bromo-6-iodopyridazine is Brc1ccc(I)nn1.
What is the InChIKey of 3-bromo-6-iodopyridazine?
The InChIKey is FPTLRGGAEAETIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrIN2/c5-3-1-2-4(6)8-7-3/h1-2H.
What are the key properties of 3-bromo-6-iodopyridazine?
3-bromo-6-iodopyridazine has a molecular weight of 284.88 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-iodopyridazine is sourced from PubChem (CID 119084293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).