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

C11H11BrN2O3 — CID 121229225

IUPACethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccc(OC)n2c1Br
InChIInChI=1S/C11H11BrN2O3/c1-3-17-11(15)9-10(12)14-7(13-9)5-4-6-8(14)16-2/h4-6H,3H2,1-2H3
InChIKeyYBJOPYFONHWWDG-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.28
Rot. Bonds3

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

ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 121229225) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID121229225
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Nameethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccc(OC)n2c1Br
InChIInChI=1S/C11H11BrN2O3/c1-3-17-11(15)9-10(12)14-7(13-9)5-4-6-8(14)16-2/h4-6H,3H2,1-2H3
InChIKeyYBJOPYFONHWWDG-UHFFFAOYSA-N
XLogP2.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 82343002
ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
CID 90411244
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
(5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)methanol
CID 115018979
3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 56924061
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylate
CID 56924060
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
3-(4-fluoro-3-methylphenyl)-5-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 152683228
ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;1-methylpiperazine
CID 159306657

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate (CID 121229225) is ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2cccc(OC)n2c1Br.
What is the InChIKey of ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is YBJOPYFONHWWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-3-17-11(15)9-10(12)14-7(13-9)5-4-6-8(14)16-2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 299.12 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 121229225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).