6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid

C8H6ClN3O2 — CID 15669752

IUPAC6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1nc2ccc(Cl)nn2c1C(=O)O
InChIInChI=1S/C8H6ClN3O2/c1-4-7(8(13)14)12-6(10-4)3-2-5(9)11-12/h2-3H,1H3,(H,13,14)
InChIKeyQPUBOGNHAFQPOP-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.39
Rot. Bonds1

About 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid

6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 15669752) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID15669752
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCc1nc2ccc(Cl)nn2c1C(=O)O
InChIInChI=1S/C8H6ClN3O2/c1-4-7(8(13)14)12-6(10-4)3-2-5(9)11-12/h2-3H,1H3,(H,13,14)
InChIKeyQPUBOGNHAFQPOP-UHFFFAOYSA-N
XLogP1.39
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid (CID 15669752) is 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid is Cc1nc2ccc(Cl)nn2c1C(=O)O.
What is the InChIKey of 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is QPUBOGNHAFQPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-4-7(8(13)14)12-6(10-4)3-2-5(9)11-12/h2-3H,1H3,(H,13,14).
What are the key properties of 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid?
6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 211.61 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 15669752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).