ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate

C10H9BrN2O2 — CID 19701375

IUPACethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(Br)cccc2n1
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3
InChIKeyVJMNOJHFYDPFKP-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds2

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

ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 19701375) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID19701375
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(Br)cccc2n1
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3
InChIKeyVJMNOJHFYDPFKP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate (CID 19701375) is ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(Br)cccc2n1.
What is the InChIKey of ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is VJMNOJHFYDPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 5-bromoimidazo[1,2-a]pyridine-2-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 5-bromoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 19701375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).