ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate

C10H9BrN2O2 — CID 57360969

IUPACethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cccc(Br)c2n1
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-13-5-3-4-7(11)9(13)12-8/h3-6H,2H2,1H3
InChIKeyASDDQVQWNIWPNH-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds2

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

ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 57360969) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID57360969
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cccc(Br)c2n1
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-13-5-3-4-7(11)9(13)12-8/h3-6H,2H2,1H3
InChIKeyASDDQVQWNIWPNH-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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Related Compounds

ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 19701330
CID 70300240
CID 70300240
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
8-bromo-N-methoxy-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 58449887
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 6-bromo-8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 156502979
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321
ethyl 6-amino-8-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 131365721

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate (CID 57360969) is ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cccc(Br)c2n1.
What is the InChIKey of ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ASDDQVQWNIWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-13-5-3-4-7(11)9(13)12-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-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 8-bromoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 57360969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).