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

C11H11BrN2O2 — CID 123406493

IUPACethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(C)c2ncc(Br)n2c1
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)8-4-7(2)10-13-5-9(12)14(10)6-8/h4-6H,3H2,1-2H3
InChIKeyIIPHLINDFZNVIN-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.58
Rot. Bonds2

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

ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 123406493) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID123406493
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Nameethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(C)c2ncc(Br)n2c1
InChIInChI=1S/C11H11BrN2O2/c1-3-16-11(15)8-4-7(2)10-13-5-9(12)14(10)6-8/h4-6H,3H2,1-2H3
InChIKeyIIPHLINDFZNVIN-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

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Related Compounds

methyl 3-bromo-8-(3,5-dimethyl-1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118168390
methyl 3-bromo-8-(3-ethoxycarbonyl-5-ethylpyrazol-3-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 122603314
ethyl 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131389867
ethyl 1-bromopyrazole-4-carboxylate
CID 139403370
ethyl 5-bromo-6-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 131749966
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 4-bromo-3-methyl-5-propoxybenzoate
CID 134593928
ethyl 2-(3-bromo-1-formylpyrazol-5-yl)pyrimidine-5-carboxylate
CID 91142476
ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 90089878
ethyl 1-(benzenesulfonyl)-5-bromopyrrole-3-carboxylate
CID 162420887
ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
CID 146473667
ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate
CID 122223917

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate (CID 123406493) is ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1cc(C)c2ncc(Br)n2c1.
What is the InChIKey of ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is IIPHLINDFZNVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-16-11(15)8-4-7(2)10-13-5-9(12)14(10)6-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate?
ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-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 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 123406493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).