(6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol

C7H6ClN3O — CID 42609596

IUPAC(6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESOCc1cn2nc(Cl)ccc2n1
InChIInChI=1S/C7H6ClN3O/c8-6-1-2-7-9-5(4-12)3-11(7)10-6/h1-3,12H,4H2
InChIKeyNNACWOFKWGHMIQ-UHFFFAOYSA-N
MW183.60 g/mol
LogP0.88
Rot. Bonds1

About (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol

(6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol (PubChem CID 42609596) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol
PubChem CID42609596
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name(6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol
SMILESOCc1cn2nc(Cl)ccc2n1
InChIInChI=1S/C7H6ClN3O/c8-6-1-2-7-9-5(4-12)3-11(7)10-6/h1-3,12H,4H2
InChIKeyNNACWOFKWGHMIQ-UHFFFAOYSA-N
XLogP0.88
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol?
The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol (CID 42609596) is (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol.
What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol?
The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol is OCc1cn2nc(Cl)ccc2n1.
What is the InChIKey of (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol?
The InChIKey is NNACWOFKWGHMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c8-6-1-2-7-9-5(4-12)3-11(7)10-6/h1-3,12H,4H2.
What are the key properties of (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol?
(6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol has a molecular weight of 183.60 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-b]pyridazin-2-yl)methanol is sourced from PubChem (CID 42609596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).