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

C14H12BrN3 — CID 116854655

IUPAC3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc(-c2ccc3ncc(Br)n3n2)cc1C
InChIInChI=1S/C14H12BrN3/c1-9-3-4-11(7-10(9)2)12-5-6-14-16-8-13(15)18(14)17-12/h3-8H,1-2H3
InChIKeyCNDHSRGMIJCFPZ-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.78
Rot. Bonds1

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

3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 116854655) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine
PubChem CID116854655
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine
SMILESCc1ccc(-c2ccc3ncc(Br)n3n2)cc1C
InChIInChI=1S/C14H12BrN3/c1-9-3-4-11(7-10(9)2)12-5-6-14-16-8-13(15)18(14)17-12/h3-8H,1-2H3
InChIKeyCNDHSRGMIJCFPZ-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine (CID 116854655) is 3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine is Cc1ccc(-c2ccc3ncc(Br)n3n2)cc1C.
What is the InChIKey of 3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is CNDHSRGMIJCFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-3-4-11(7-10(9)2)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-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine?
3-bromo-6-(3,4-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-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).