3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine

C13H9BrFN3 — CID 116854941

IUPAC3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(-c3ccc(F)cc3)nn2c1Br
InChIInChI=1S/C13H9BrFN3/c1-8-13(14)18-12(16-8)7-6-11(17-18)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyGIVXLJDSHJRUNT-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.61
Rot. Bonds1

About 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine

3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine (PubChem CID 116854941) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
PubChem CID116854941
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(-c3ccc(F)cc3)nn2c1Br
InChIInChI=1S/C13H9BrFN3/c1-8-13(14)18-12(16-8)7-6-11(17-18)9-2-4-10(15)5-3-9/h2-7H,1H3
InChIKeyGIVXLJDSHJRUNT-UHFFFAOYSA-N
XLogP3.61
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine (CID 116854941) is 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine is Cc1nc2ccc(-c3ccc(F)cc3)nn2c1Br.
What is the InChIKey of 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is GIVXLJDSHJRUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-8-13(14)18-12(16-8)7-6-11(17-18)9-2-4-10(15)5-3-9/h2-7H,1H3.
What are the key properties of 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine?
3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 306.14 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 116854941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).