ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

C10H9BrN2O2 — CID 22031055

IUPACethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKeyVMTDOHAWLUJHAI-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds2

About ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 22031055) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID22031055
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKeyVMTDOHAWLUJHAI-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate (CID 22031055) is ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is VMTDOHAWLUJHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3.
What are the key properties of ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 22031055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).