[6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol

C11H8ClN3O — CID 87771583

IUPAC[6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESOCc1c(C2=CC=C2)nc2ccc(Cl)nn12
InChIInChI=1S/C11H8ClN3O/c12-9-4-5-10-13-11(7-2-1-3-7)8(6-16)15(10)14-9/h1-5,16H,6H2
InChIKeyKMWAYEXKCZMKRI-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.83
Rot. Bonds2

About [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol

[6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol (PubChem CID 87771583) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol
PubChem CID87771583
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name[6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol
SMILESOCc1c(C2=CC=C2)nc2ccc(Cl)nn12
InChIInChI=1S/C11H8ClN3O/c12-9-4-5-10-13-11(7-2-1-3-7)8(6-16)15(10)14-9/h1-5,16H,6H2
InChIKeyKMWAYEXKCZMKRI-UHFFFAOYSA-N
XLogP1.83
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The IUPAC name of [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol (CID 87771583) is [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The canonical SMILES for [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol is OCc1c(C2=CC=C2)nc2ccc(Cl)nn12.
What is the InChIKey of [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
The InChIKey is KMWAYEXKCZMKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-4-5-10-13-11(7-2-1-3-7)8(6-16)15(10)14-9/h1-5,16H,6H2.
What are the key properties of [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol?
[6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol has a molecular weight of 233.66 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(cyclobutadienyl)imidazo[1,2-b]pyridazin-3-yl]methanol is sourced from PubChem (CID 87771583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).