8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid

C7H3BrClN3O2 — CID 59313818

IUPAC8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Br)cc(Cl)nn12
InChIInChI=1S/C7H3BrClN3O2/c8-3-1-5(9)11-12-4(7(13)14)2-10-6(3)12/h1-2H,(H,13,14)
InChIKeyRCSSKGWYVXIEJF-UHFFFAOYSA-N
MW276.48 g/mol
LogP1.84
Rot. Bonds1

About 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid

8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 59313818) has the molecular formula C7H3BrClN3O2 and a molecular weight of 276.48 g/mol. Its IUPAC name is 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID59313818
Molecular FormulaC7H3BrClN3O2
Molecular Weight276.48 g/mol
Exact Mass274.91
IUPAC Name8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Br)cc(Cl)nn12
InChIInChI=1S/C7H3BrClN3O2/c8-3-1-5(9)11-12-4(7(13)14)2-10-6(3)12/h1-2H,(H,13,14)
InChIKeyRCSSKGWYVXIEJF-UHFFFAOYSA-N
XLogP1.84
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid (CID 59313818) is 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1cnc2c(Br)cc(Cl)nn12.
What is the InChIKey of 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is RCSSKGWYVXIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3O2/c8-3-1-5(9)11-12-4(7(13)14)2-10-6(3)12/h1-2H,(H,13,14).
What are the key properties of 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid?
8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 276.48 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 59313818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).