lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate

C7H3ClLiN3O2 — CID 155973192

IUPAClithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
SMILESO=C([O-])c1cnc2ccc(Cl)nn12.[Li+]
InChIInChI=1S/C7H4ClN3O2.Li/c8-5-1-2-6-9-3-4(7(12)13)11(6)10-5;/h1-3H,(H,12,13);/q;+1/p-1
InChIKeyLTSKCSYHAYBNHY-UHFFFAOYSA-M
MW203.51 g/mol
LogP-3.25
Rot. Bonds1

About lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate

lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 155973192) has the molecular formula C7H3ClLiN3O2 and a molecular weight of 203.51 g/mol. Its IUPAC name is lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Namelithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID155973192
Molecular FormulaC7H3ClLiN3O2
Molecular Weight203.51 g/mol
Exact Mass203.01
IUPAC Namelithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
SMILESO=C([O-])c1cnc2ccc(Cl)nn12.[Li+]
InChIInChI=1S/C7H4ClN3O2.Li/c8-5-1-2-6-9-3-4(7(12)13)11(6)10-5;/h1-3H,(H,12,13);/q;+1/p-1
InChIKeyLTSKCSYHAYBNHY-UHFFFAOYSA-M
XLogP-3.25
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.51
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate (CID 155973192) is lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate is O=C([O-])c1cnc2ccc(Cl)nn12.[Li+].
What is the InChIKey of lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is LTSKCSYHAYBNHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4ClN3O2.Li/c8-5-1-2-6-9-3-4(7(12)13)11(6)10-5;/h1-3H,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate?
lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 203.51 g/mol, XLogP of -3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 155973192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).