6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine

C13H10BrN3O — CID 116854245

IUPAC6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nccn3n2)cc1Br
InChIInChI=1S/C13H10BrN3O/c1-18-12-4-2-9(8-10(12)14)11-3-5-13-15-6-7-17(13)16-11/h2-8H,1H3
InChIKeyQSBSCKUXCLHFCC-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.17
Rot. Bonds2

About 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine

6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine (PubChem CID 116854245) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine
PubChem CID116854245
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nccn3n2)cc1Br
InChIInChI=1S/C13H10BrN3O/c1-18-12-4-2-9(8-10(12)14)11-3-5-13-15-6-7-17(13)16-11/h2-8H,1H3
InChIKeyQSBSCKUXCLHFCC-UHFFFAOYSA-N
XLogP3.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-ethyl-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854258
6-(4-ethoxy-3-fluorophenyl)imidazo[1,2-b]pyridazine
CID 116854261
6-(2-methoxy-4,6-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854288
[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854462
6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazine
CID 116854254
6-(2,5-difluoro-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854306
6-(2-methoxy-4-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
CID 116854271
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 696188
2-(3-bromo-4-methoxyphenyl)-1-(1-methylimidazol-2-yl)imidazole
CID 58947204
[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900340
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]acetic acid
CID 116899794

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine (CID 116854245) is 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine is COc1ccc(-c2ccc3nccn3n2)cc1Br.
What is the InChIKey of 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is QSBSCKUXCLHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-18-12-4-2-9(8-10(12)14)11-3-5-13-15-6-7-17(13)16-11/h2-8H,1H3.
What are the key properties of 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine?
6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 304.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).