3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid

C7H4BrN3O3 — CID 84742438

IUPAC3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(=O)[nH]n2c1Br
InChIInChI=1S/C7H4BrN3O3/c8-6-5(7(13)14)9-3-1-2-4(12)10-11(3)6/h1-2H,(H,10,12)(H,13,14)
InChIKeyZPCDFSHWSNHBQA-UHFFFAOYSA-N
MW258.03 g/mol
LogP0.48
Rot. Bonds1

About 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid

3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 84742438) has the molecular formula C7H4BrN3O3 and a molecular weight of 258.03 g/mol. Its IUPAC name is 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID84742438
Molecular FormulaC7H4BrN3O3
Molecular Weight258.03 g/mol
Exact Mass256.94
IUPAC Name3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(=O)[nH]n2c1Br
InChIInChI=1S/C7H4BrN3O3/c8-6-5(7(13)14)9-3-1-2-4(12)10-11(3)6/h1-2H,(H,10,12)(H,13,14)
InChIKeyZPCDFSHWSNHBQA-UHFFFAOYSA-N
XLogP0.48
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.03
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid (CID 84742438) is 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid is O=C(O)c1nc2ccc(=O)[nH]n2c1Br.
What is the InChIKey of 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is ZPCDFSHWSNHBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O3/c8-6-5(7(13)14)9-3-1-2-4(12)10-11(3)6/h1-2H,(H,10,12)(H,13,14).
What are the key properties of 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid?
3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 258.03 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 84742438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).