3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride

C7H5BrClN3O2 — CID 155822616

IUPAC3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nc2cccnn2c1Br
InChIInChI=1S/C7H4BrN3O2.ClH/c8-6-5(7(12)13)10-4-2-1-3-9-11(4)6;/h1-3H,(H,12,13);1H
InChIKeyFIYMJCKCEHWJIC-UHFFFAOYSA-N
MW278.49 g/mol
LogP1.61
Rot. Bonds1

About 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride

3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride (PubChem CID 155822616) has the molecular formula C7H5BrClN3O2 and a molecular weight of 278.49 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride
PubChem CID155822616
Molecular FormulaC7H5BrClN3O2
Molecular Weight278.49 g/mol
Exact Mass276.93
IUPAC Name3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nc2cccnn2c1Br
InChIInChI=1S/C7H4BrN3O2.ClH/c8-6-5(7(12)13)10-4-2-1-3-9-11(4)6;/h1-3H,(H,12,13);1H
InChIKeyFIYMJCKCEHWJIC-UHFFFAOYSA-N
XLogP1.61
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride (CID 155822616) is 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1nc2cccnn2c1Br.
What is the InChIKey of 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
The InChIKey is FIYMJCKCEHWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2.ClH/c8-6-5(7(12)13)10-4-2-1-3-9-11(4)6;/h1-3H,(H,12,13);1H.
What are the key properties of 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride has a molecular weight of 278.49 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 155822616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).