methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate

C9H7BrN2O2 — CID 58319050

IUPACmethyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(Br)c2nccn12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-3-2-6(10)8-11-4-5-12(7)8/h2-5H,1H3
InChIKeyUDAAHTRLAJOPIN-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.88
Rot. Bonds1

About methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate

methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 58319050) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate
PubChem CID58319050
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Namemethyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(Br)c2nccn12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-3-2-6(10)8-11-4-5-12(7)8/h2-5H,1H3
InChIKeyUDAAHTRLAJOPIN-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate (CID 58319050) is methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1ccc(Br)c2nccn12.
What is the InChIKey of methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is UDAAHTRLAJOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-9(13)7-3-2-6(10)8-11-4-5-12(7)8/h2-5H,1H3.
What are the key properties of methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate?
methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 255.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 58319050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).