6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine

C9H10ClN3O — CID 90135351

IUPAC6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1cc2nc(C)c(C)n2nc1Cl
InChIInChI=1S/C9H10ClN3O/c1-5-6(2)13-8(11-5)4-7(14-3)9(10)12-13/h4H,1-3H3
InChIKeyYTHKOCVKGMYNSY-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.01
Rot. Bonds1

About 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine

6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine (PubChem CID 90135351) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine
PubChem CID90135351
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine
SMILESCOc1cc2nc(C)c(C)n2nc1Cl
InChIInChI=1S/C9H10ClN3O/c1-5-6(2)13-8(11-5)4-7(14-3)9(10)12-13/h4H,1-3H3
InChIKeyYTHKOCVKGMYNSY-UHFFFAOYSA-N
XLogP2.01
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine (CID 90135351) is 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine is COc1cc2nc(C)c(C)n2nc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is YTHKOCVKGMYNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-5-6(2)13-8(11-5)4-7(14-3)9(10)12-13/h4H,1-3H3.
What are the key properties of 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine?
6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 211.65 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-2,3-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 90135351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).