3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate

C10H8BrN2O2- — CID 56924060

IUPAC3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCc1cccc2nc(C(=O)[O-])c(Br)n12
InChIInChI=1S/C10H9BrN2O2/c1-2-6-4-3-5-7-12-8(10(14)15)9(11)13(6)7/h3-5H,2H2,1H3,(H,14,15)/p-1
InChIKeyCQBFEKHJEJNIFD-UHFFFAOYSA-M
MW268.09 g/mol
LogP1.02
Rot. Bonds2

About 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate

3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 56924060) has the molecular formula C10H8BrN2O2- and a molecular weight of 268.09 g/mol. Its IUPAC name is 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID56924060
Molecular FormulaC10H8BrN2O2-
Molecular Weight268.09 g/mol
Exact Mass266.98
IUPAC Name3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCc1cccc2nc(C(=O)[O-])c(Br)n12
InChIInChI=1S/C10H9BrN2O2/c1-2-6-4-3-5-7-12-8(10(14)15)9(11)13(6)7/h3-5H,2H2,1H3,(H,14,15)/p-1
InChIKeyCQBFEKHJEJNIFD-UHFFFAOYSA-M
XLogP1.02
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate (CID 56924060) is 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate is CCc1cccc2nc(C(=O)[O-])c(Br)n12.
What is the InChIKey of 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CQBFEKHJEJNIFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-6-4-3-5-7-12-8(10(14)15)9(11)13(6)7/h3-5H,2H2,1H3,(H,14,15)/p-1.
What are the key properties of 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate?
3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 268.09 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 56924060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).