lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

C8H4BrLiN2O2 — CID 155821079

IUPAClithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C([O-])c1cn2cc(Br)ccc2n1.[Li+]
InChIInChI=1S/C8H5BrN2O2.Li/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5;/h1-4H,(H,12,13);/q;+1/p-1
InChIKeyVOSGACAJUFYJML-UHFFFAOYSA-M
MW246.98 g/mol
LogP-2.54
Rot. Bonds1

About lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 155821079) has the molecular formula C8H4BrLiN2O2 and a molecular weight of 246.98 g/mol. Its IUPAC name is lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID155821079
Molecular FormulaC8H4BrLiN2O2
Molecular Weight246.98 g/mol
Exact Mass245.96
IUPAC Namelithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C([O-])c1cn2cc(Br)ccc2n1.[Li+]
InChIInChI=1S/C8H5BrN2O2.Li/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5;/h1-4H,(H,12,13);/q;+1/p-1
InChIKeyVOSGACAJUFYJML-UHFFFAOYSA-M
XLogP-2.54
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.98
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate (CID 155821079) is lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate is O=C([O-])c1cn2cc(Br)ccc2n1.[Li+].
What is the InChIKey of lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is VOSGACAJUFYJML-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5BrN2O2.Li/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5;/h1-4H,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 246.98 g/mol, XLogP of -2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-bromoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 155821079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).