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

C8H6IN3O2 — CID 90135409

IUPAC6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2ccc(I)nn12
InChIInChI=1S/C8H6IN3O2/c1-4-7(8(13)14)10-6-3-2-5(9)11-12(4)6/h2-3H,1H3,(H,13,14)
InChIKeyWCOFSIISEUFDKL-UHFFFAOYSA-N
MW303.06 g/mol
LogP1.34
Rot. Bonds1

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

6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid (PubChem CID 90135409) has the molecular formula C8H6IN3O2 and a molecular weight of 303.06 g/mol. Its IUPAC name is 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid.

Molecular Properties

Compound Name6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
PubChem CID90135409
Molecular FormulaC8H6IN3O2
Molecular Weight303.06 g/mol
Exact Mass302.95
IUPAC Name6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2ccc(I)nn12
InChIInChI=1S/C8H6IN3O2/c1-4-7(8(13)14)10-6-3-2-5(9)11-12(4)6/h2-3H,1H3,(H,13,14)
InChIKeyWCOFSIISEUFDKL-UHFFFAOYSA-N
XLogP1.34
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
The IUPAC name of 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid (CID 90135409) is 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid.
What is the SMILES notation for 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
The canonical SMILES for 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid is Cc1c(C(=O)O)nc2ccc(I)nn12.
What is the InChIKey of 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
The InChIKey is WCOFSIISEUFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3O2/c1-4-7(8(13)14)10-6-3-2-5(9)11-12(4)6/h2-3H,1H3,(H,13,14).
What are the key properties of 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid?
6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid has a molecular weight of 303.06 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methylimidazo[1,2-b]pyridazine-2-carboxylic acid is sourced from PubChem (CID 90135409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).