(6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol

C8H8IN3O — CID 118278231

IUPAC(6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESCc1c(CO)nc2ccc(I)nn12
InChIInChI=1S/C8H8IN3O/c1-5-6(4-13)10-8-3-2-7(9)11-12(5)8/h2-3,13H,4H2,1H3
InChIKeyUTXCCODKAGJCCB-UHFFFAOYSA-N
MW289.08 g/mol
LogP1.13
Rot. Bonds1

About (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol

(6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol (PubChem CID 118278231) has the molecular formula C8H8IN3O and a molecular weight of 289.08 g/mol. Its IUPAC name is (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol.

Molecular Properties

Compound Name(6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol
PubChem CID118278231
Molecular FormulaC8H8IN3O
Molecular Weight289.08 g/mol
Exact Mass288.97
IUPAC Name(6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESCc1c(CO)nc2ccc(I)nn12
InChIInChI=1S/C8H8IN3O/c1-5-6(4-13)10-8-3-2-7(9)11-12(5)8/h2-3,13H,4H2,1H3
InChIKeyUTXCCODKAGJCCB-UHFFFAOYSA-N
XLogP1.13
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 51.13
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]pyridazin-2-yl)methanol?
The IUPAC name of (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol (CID 118278231) is (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol.
What is the SMILES notation for (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol?
The canonical SMILES for (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol is Cc1c(CO)nc2ccc(I)nn12.
What is the InChIKey of (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol?
The InChIKey is UTXCCODKAGJCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3O/c1-5-6(4-13)10-8-3-2-7(9)11-12(5)8/h2-3,13H,4H2,1H3.
What are the key properties of (6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol?
(6-iodo-3-methylimidazo[1,2-b]pyridazin-2-yl)methanol has a molecular weight of 289.08 g/mol, XLogP of 1.13, 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]pyridazin-2-yl)methanol is sourced from PubChem (CID 118278231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).