2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine

C13H8ClN3O2 — CID 15749997

IUPAC2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C13H8ClN3O2/c14-12-3-4-13-15-9(6-17(13)16-12)8-1-2-10-11(5-8)19-7-18-10/h1-6H,7H2
InChIKeyZNPCQZYSKNBMDT-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.78
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine

2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine (PubChem CID 15749997) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
PubChem CID15749997
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C13H8ClN3O2/c14-12-3-4-13-15-9(6-17(13)16-12)8-1-2-10-11(5-8)19-7-18-10/h1-6H,7H2
InChIKeyZNPCQZYSKNBMDT-UHFFFAOYSA-N
XLogP2.78
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine
CID 11771382
6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
CID 15749998
2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine
CID 10762137
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646923
5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
CID 21066363
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
CID 46835564
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
N-[6-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-2-yl]-N-(4-tert-butylphenyl)formamide
CID 87534362
2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
CID 75412206
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051162

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine (CID 15749997) is 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine is Clc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine?
The InChIKey is ZNPCQZYSKNBMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-12-3-4-13-15-9(6-17(13)16-12)8-1-2-10-11(5-8)19-7-18-10/h1-6H,7H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine?
2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine has a molecular weight of 273.68 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 15749997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).