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

C11H11BrN2O2 — CID 130113655

IUPACethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(Br)n12
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)10-7(2)13-9-6-4-5-8(12)14(9)10/h4-6H,3H2,1-2H3
InChIKeyXZBPEPPYKLHQPP-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.58
Rot. Bonds2

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

ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 130113655) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID130113655
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Nameethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(Br)n12
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)10-7(2)13-9-6-4-5-8(12)14(9)10/h4-6H,3H2,1-2H3
InChIKeyXZBPEPPYKLHQPP-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
CID 121229225
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
ethyl 6-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 131537872
1-(5-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 115018891
ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 82343002
ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 67746049
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
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
5-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82342976
3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693349
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 130113655) is ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2cccc(Br)n12.
What is the InChIKey of ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is XZBPEPPYKLHQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-16-11(15)10-7(2)13-9-6-4-5-8(12)14(9)10/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 283.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 130113655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).