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

C18H15BrN2O3 — CID 10971097

IUPACethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)cc(C)cn2c1C(=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O3/c1-3-24-18(23)14-15(16(22)12-7-5-4-6-8-12)21-10-11(2)9-13(19)17(21)20-14/h4-10H,3H2,1-2H3
InChIKeyCRVJXYRQNYINJW-UHFFFAOYSA-N
MW387.23 g/mol
LogP3.81
Rot. Bonds4

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

ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 10971097) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID10971097
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Nameethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)cc(C)cn2c1C(=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O3/c1-3-24-18(23)14-15(16(22)12-7-5-4-6-8-12)21-10-11(2)9-13(19)17(21)20-14/h4-10H,3H2,1-2H3
InChIKeyCRVJXYRQNYINJW-UHFFFAOYSA-N
XLogP3.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 86717925
ethyl 8-bromo-6-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 154814169
ethyl 5-benzoyl-2,6-dimethoxypyrimidine-4-carboxylate
CID 102390664
ethyl 3-benzoyl-5,7-dimethylquinoline-2-carboxylate
CID 176908700
ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 171530852
ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 90089878
ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
CID 144673461
ethyl 7-benzoylindolizine-2-carboxylate
CID 71386260
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 155927218

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 10971097) is ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2c(Br)cc(C)cn2c1C(=O)c1ccccc1.
What is the InChIKey of ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CRVJXYRQNYINJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-3-24-18(23)14-15(16(22)12-7-5-4-6-8-12)21-10-11(2)9-13(19)17(21)20-14/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 387.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 10971097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).