3-bromo-6-iodo-4-methylpyridazine

C5H4BrIN2 — CID 133061961

IUPAC3-bromo-6-iodo-4-methylpyridazine
SMILESCc1cc(I)nnc1Br
InChIInChI=1S/C5H4BrIN2/c1-3-2-4(7)8-9-5(3)6/h2H,1H3
InChIKeyIHPCBRWBMLMCNR-UHFFFAOYSA-N
MW298.91 g/mol
LogP2.15
Rot. Bonds

About 3-bromo-6-iodo-4-methylpyridazine

3-bromo-6-iodo-4-methylpyridazine (PubChem CID 133061961) has the molecular formula C5H4BrIN2 and a molecular weight of 298.91 g/mol. Its IUPAC name is 3-bromo-6-iodo-4-methylpyridazine.

Molecular Properties

Compound Name3-bromo-6-iodo-4-methylpyridazine
PubChem CID133061961
Molecular FormulaC5H4BrIN2
Molecular Weight298.91 g/mol
Exact Mass297.86
IUPAC Name3-bromo-6-iodo-4-methylpyridazine
SMILESCc1cc(I)nnc1Br
InChIInChI=1S/C5H4BrIN2/c1-3-2-4(7)8-9-5(3)6/h2H,1H3
InChIKeyIHPCBRWBMLMCNR-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.91
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N,5-dimethylpyridazin-3-amine
CID 130118584
2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
CID 119006944
6-bromo-2-iodo-5-methylpyridin-3-ol
CID 178150998
2-bromo-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine
CID 119006523
3,6-diiodo-2,4-dimethylpyridine
CID 155467914
6-iodo-2,4-dimethylpyridine-3-carbonitrile
CID 89146475
2-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763
6-iodo-2,4-dimethylpyridin-3-amine
CID 130295426
6-iodo-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 134516677
3-amino-6-bromo-5-methylpyridine-2-carbonitrile
CID 131305995
6-bromo-2-(difluoromethyl)-5-methylpyridin-3-ol
CID 119007846
1-bromo-4-iodo-2-methylbenzene
CID 2735574

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-iodo-4-methylpyridazine?
The IUPAC name of 3-bromo-6-iodo-4-methylpyridazine (CID 133061961) is 3-bromo-6-iodo-4-methylpyridazine.
What is the SMILES notation for 3-bromo-6-iodo-4-methylpyridazine?
The canonical SMILES for 3-bromo-6-iodo-4-methylpyridazine is Cc1cc(I)nnc1Br.
What is the InChIKey of 3-bromo-6-iodo-4-methylpyridazine?
The InChIKey is IHPCBRWBMLMCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrIN2/c1-3-2-4(7)8-9-5(3)6/h2H,1H3.
What are the key properties of 3-bromo-6-iodo-4-methylpyridazine?
3-bromo-6-iodo-4-methylpyridazine has a molecular weight of 298.91 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-iodo-4-methylpyridazine is sourced from PubChem (CID 133061961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).