ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate

C10H9BrN2O2 — CID 15169600

IUPACethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(Br)n2ccccc12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-9(14)8-7-5-3-4-6-13(7)10(11)12-8/h3-6H,2H2,1H3
InChIKeyWLURNWOLAWZBPA-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds2

About ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate

ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 15169600) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID15169600
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(Br)n2ccccc12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-9(14)8-7-5-3-4-6-13(7)10(11)12-8/h3-6H,2H2,1H3
InChIKeyWLURNWOLAWZBPA-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 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate (CID 15169600) is ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate is CCOC(=O)c1nc(Br)n2ccccc12.
What is the InChIKey of ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is WLURNWOLAWZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-9(14)8-7-5-3-4-6-13(7)10(11)12-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate?
ethyl 3-bromoimidazo[1,5-a]pyridine-1-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 3-bromoimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 15169600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).