ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

C11H8BrF3N2O2 — CID 75365536

IUPACethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2ccc(Br)cn12
InChIInChI=1S/C11H8BrF3N2O2/c1-2-19-10(18)8-9(11(13,14)15)16-7-4-3-6(12)5-17(7)8/h3-5H,2H2,1H3
InChIKeyVGBGMJMHDDKHSX-UHFFFAOYSA-N
MW337.10 g/mol
LogP3.29
Rot. Bonds2

About ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 75365536) has the molecular formula C11H8BrF3N2O2 and a molecular weight of 337.10 g/mol. Its IUPAC name is ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID75365536
Molecular FormulaC11H8BrF3N2O2
Molecular Weight337.10 g/mol
Exact Mass335.97
IUPAC Nameethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2ccc(Br)cn12
InChIInChI=1S/C11H8BrF3N2O2/c1-2-19-10(18)8-9(11(13,14)15)16-7-4-3-6(12)5-17(7)8/h3-5H,2H2,1H3
InChIKeyVGBGMJMHDDKHSX-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 6-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 131537872
6-bromo-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134816766
6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxamide;6-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 161378577
1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 21345663
6-bromo-2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469785
N,6-dimethyl-N-propyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471424
ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1221802
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 125453739
ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate
CID 172561000

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 75365536) is ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)nc2ccc(Br)cn12.
What is the InChIKey of ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is VGBGMJMHDDKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O2/c1-2-19-10(18)8-9(11(13,14)15)16-7-4-3-6(12)5-17(7)8/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 337.10 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 75365536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).