ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate

C10H8BrFN2O2 — CID 82530949

IUPACethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(F)cc(Br)c2n1
InChIInChI=1S/C10H8BrFN2O2/c1-2-16-10(15)8-5-14-4-6(12)3-7(11)9(14)13-8/h3-5H,2H2,1H3
InChIKeyZMRDPGGVQOWCNX-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.41
Rot. Bonds2

About ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 82530949) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID82530949
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Nameethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(F)cc(Br)c2n1
InChIInChI=1S/C10H8BrFN2O2/c1-2-16-10(15)8-5-14-4-6(12)3-7(11)9(14)13-8/h3-5H,2H2,1H3
InChIKeyZMRDPGGVQOWCNX-UHFFFAOYSA-N
XLogP2.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CID 82530949) is ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(F)cc(Br)c2n1.
What is the InChIKey of ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ZMRDPGGVQOWCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-2-16-10(15)8-5-14-4-6(12)3-7(11)9(14)13-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 287.09 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 82530949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).