ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

C17H15BrN2O2 — CID 11792775

IUPACethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H15BrN2O2/c1-2-22-16(21)10-14-17(12-6-4-3-5-7-12)19-15-9-8-13(18)11-20(14)15/h3-9,11H,2,10H2,1H3
InChIKeyYIRNYMAHSMGVIR-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.87
Rot. Bonds4

About ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 11792775) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID11792775
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Nameethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H15BrN2O2/c1-2-22-16(21)10-14-17(12-6-4-3-5-7-12)19-15-9-8-13(18)11-20(14)15/h3-9,11H,2,10H2,1H3
InChIKeyYIRNYMAHSMGVIR-UHFFFAOYSA-N
XLogP3.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-amino-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 10541904
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 165351332
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
ethyl 2-[[6-bromo-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 5099661
ethyl 2-(6-chloro-7-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)acetate
CID 10735152
[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid
CID 2757136
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
2-amino-3-[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170879863
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 11792775) is ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCOC(=O)Cc1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is YIRNYMAHSMGVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-2-22-16(21)10-14-17(12-6-4-3-5-7-12)19-15-9-8-13(18)11-20(14)15/h3-9,11H,2,10H2,1H3.
What are the key properties of ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 359.22 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 11792775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).