6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid

C7H4BrN3O2 — CID 87553679

IUPAC6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2nc(Br)ccc2n1
InChIInChI=1S/C7H4BrN3O2/c8-5-1-2-6-9-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13)
InChIKeyCDWAXGPELDQFKV-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.19
Rot. Bonds1

About 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid

6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 87553679) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID87553679
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESO=C(O)c1cn2nc(Br)ccc2n1
InChIInChI=1S/C7H4BrN3O2/c8-5-1-2-6-9-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13)
InChIKeyCDWAXGPELDQFKV-UHFFFAOYSA-N
XLogP1.19
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(propan-2-ylamino)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 84685599
6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663784
6-(1-acetylpiperidin-4-yl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 138663454
6-[(2S)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 71236160
6-[(2R)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 71236162
2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 56965726
6-anilinoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 138634473
6-chloro-N-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxamide
CID 58216634
7-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 68667089
6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
6-formylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 23155605
2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84703019

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid (CID 87553679) is 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid is O=C(O)c1cn2nc(Br)ccc2n1.
What is the InChIKey of 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is CDWAXGPELDQFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-5-1-2-6-9-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13).
What are the key properties of 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid?
6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 87553679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).