3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine

C15H14BrN3O — CID 116854679

IUPAC3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(C)c(C)cc1-c1ccc2ncc(Br)n2n1
InChIInChI=1S/C15H14BrN3O/c1-9-6-11(13(20-3)7-10(9)2)12-4-5-15-17-8-14(16)19(15)18-12/h4-8H,1-3H3
InChIKeyUXDADHISEFCJBO-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.78
Rot. Bonds2

About 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine

3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 116854679) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
PubChem CID116854679
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(C)c(C)cc1-c1ccc2ncc(Br)n2n1
InChIInChI=1S/C15H14BrN3O/c1-9-6-11(13(20-3)7-10(9)2)12-4-5-15-17-8-14(16)19(15)18-12/h4-8H,1-3H3
InChIKeyUXDADHISEFCJBO-UHFFFAOYSA-N
XLogP3.78
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854656
3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854655
6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde
CID 116854403
3-bromo-6-(2-methoxy-4,5-dimethylphenyl)pyridazine
CID 82094371
3-bromo-6-propan-2-ylimidazo[1,2-b]pyridazine
CID 82388154
6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole
CID 116854709
[6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]methanol
CID 116854462
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
3-bromo-6-tert-butylimidazo[1,2-b]pyridazine
CID 116854650
4-methoxy-3-[3-(2-methoxy-4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline
CID 57413857
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine
CID 130047301
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
CID 130047290

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine (CID 116854679) is 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine is COc1cc(C)c(C)cc1-c1ccc2ncc(Br)n2n1.
What is the InChIKey of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is UXDADHISEFCJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-6-11(13(20-3)7-10(9)2)12-4-5-15-17-8-14(16)19(15)18-12/h4-8H,1-3H3.
What are the key properties of 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 332.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).