ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate

C13H15BrN2O3 — CID 90089878

IUPACethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCC)cc(Br)cn12
InChIInChI=1S/C13H15BrN2O3/c1-4-18-10-6-9(14)7-16-11(13(17)19-5-2)8(3)15-12(10)16/h6-7H,4-5H2,1-3H3
InChIKeyDYTIVPDHXSUCAX-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.98
Rot. Bonds4

About ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 90089878) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID90089878
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Nameethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCC)cc(Br)cn12
InChIInChI=1S/C13H15BrN2O3/c1-4-18-10-6-9(14)7-16-11(13(17)19-5-2)8(3)15-12(10)16/h6-7H,4-5H2,1-3H3
InChIKeyDYTIVPDHXSUCAX-UHFFFAOYSA-N
XLogP2.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 90089878) is ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(OCC)cc(Br)cn12.
What is the InChIKey of ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is DYTIVPDHXSUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-4-18-10-6-9(14)7-16-11(13(17)19-5-2)8(3)15-12(10)16/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 327.18 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 90089878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).