3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine

C11H7BrN4 — CID 66812305

IUPAC3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESBrc1cnc2cc(-c3ccncc3)cnn12
InChIInChI=1S/C11H7BrN4/c12-10-7-14-11-5-9(6-15-16(10)11)8-1-3-13-4-2-8/h1-7H
InChIKeyHPJPIOJSIJTIFS-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.55
Rot. Bonds1

About 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine

3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 66812305) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID66812305
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESBrc1cnc2cc(-c3ccncc3)cnn12
InChIInChI=1S/C11H7BrN4/c12-10-7-14-11-5-9(6-15-16(10)11)8-1-3-13-4-2-8/h1-7H
InChIKeyHPJPIOJSIJTIFS-UHFFFAOYSA-N
XLogP2.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 66812305) is 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine is Brc1cnc2cc(-c3ccncc3)cnn12.
What is the InChIKey of 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is HPJPIOJSIJTIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-10-7-14-11-5-9(6-15-16(10)11)8-1-3-13-4-2-8/h1-7H.
What are the key properties of 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine?
3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 275.11 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 66812305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).