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

C14H12BrN3 — CID 116854656

IUPAC3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc(C)c(-c2ccc3ncc(Br)n3n2)c1
InChIInChI=1S/C14H12BrN3/c1-9-3-4-10(2)11(7-9)12-5-6-14-16-8-13(15)18(14)17-12/h3-8H,1-2H3
InChIKeySEHRJJBTCCHOGI-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.78
Rot. Bonds1

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

3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 116854656) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
PubChem CID116854656
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc(C)c(-c2ccc3ncc(Br)n3n2)c1
InChIInChI=1S/C14H12BrN3/c1-9-3-4-10(2)11(7-9)12-5-6-14-16-8-13(15)18(14)17-12/h3-8H,1-2H3
InChIKeySEHRJJBTCCHOGI-UHFFFAOYSA-N
XLogP3.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854655
3-bromo-6-(2-methoxy-4,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854679
6-(2,5-dimethylphenyl)-2H-[1,2,4]triazolo[4,3-b]pyridazine-3-thione
CID 82105336
2-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854746
6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854355
3-bromo-6-tert-butylimidazo[1,2-b]pyridazine
CID 116854650
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
2-(2,5-dimethylphenyl)-4,5-dimethylpyridine
CID 166896824
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
CID 130047290
3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 169237116
3-bromo-6-methylimidazo[1,2-a]pyridine
CID 5260646

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine (CID 116854656) is 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine is Cc1ccc(C)c(-c2ccc3ncc(Br)n3n2)c1.
What is the InChIKey of 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is SEHRJJBTCCHOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-3-4-10(2)11(7-9)12-5-6-14-16-8-13(15)18(14)17-12/h3-8H,1-2H3.
What are the key properties of 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine?
3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 302.18 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).