tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

C12H13BrN2O2 — CID 135394551

IUPACtert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn2cc(Br)ccc2n1
InChIInChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)9-7-15-6-8(13)4-5-10(15)14-9/h4-7H,1-3H3
InChIKeyMVZNFJPZMIBTCV-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.05
Rot. Bonds1

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

tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 135394551) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID135394551
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Nametert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn2cc(Br)ccc2n1
InChIInChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)9-7-15-6-8(13)4-5-10(15)14-9/h4-7H,1-3H3
InChIKeyMVZNFJPZMIBTCV-UHFFFAOYSA-N
XLogP3.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate (CID 135394551) is tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1cn2cc(Br)ccc2n1.
What is the InChIKey of tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is MVZNFJPZMIBTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)9-7-15-6-8(13)4-5-10(15)14-9/h4-7H,1-3H3.
What are the key properties of tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 297.15 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 135394551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).