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

C7H4BrCl2N3O2 — CID 154814301

IUPAC3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nc2ccc(Cl)nn2c1Br
InChIInChI=1S/C7H3BrClN3O2.ClH/c8-6-5(7(13)14)10-4-2-1-3(9)11-12(4)6;/h1-2H,(H,13,14);1H
InChIKeyPMUUINPWCKSYFZ-UHFFFAOYSA-N
MW312.94 g/mol
LogP2.27
Rot. Bonds1

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

3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride (PubChem CID 154814301) has the molecular formula C7H4BrCl2N3O2 and a molecular weight of 312.94 g/mol. Its IUPAC name is 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride
PubChem CID154814301
Molecular FormulaC7H4BrCl2N3O2
Molecular Weight312.94 g/mol
Exact Mass310.89
IUPAC Name3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nc2ccc(Cl)nn2c1Br
InChIInChI=1S/C7H3BrClN3O2.ClH/c8-6-5(7(13)14)10-4-2-1-3(9)11-12(4)6;/h1-2H,(H,13,14);1H
InChIKeyPMUUINPWCKSYFZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.94
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride (CID 154814301) is 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1nc2ccc(Cl)nn2c1Br.
What is the InChIKey of 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
The InChIKey is PMUUINPWCKSYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3O2.ClH/c8-6-5(7(13)14)10-4-2-1-3(9)11-12(4)6;/h1-2H,(H,13,14);1H.
What are the key properties of 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride?
3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride has a molecular weight of 312.94 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 154814301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).