ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate

C12H10BrF3N2O2 — CID 171530852

IUPACethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)cccn2c1CC(F)(F)F
InChIInChI=1S/C12H10BrF3N2O2/c1-2-20-11(19)9-8(6-12(14,15)16)18-5-3-4-7(13)10(18)17-9/h3-5H,2,6H2,1H3
InChIKeyOQQCDYUERRIJRO-UHFFFAOYSA-N
MW351.12 g/mol
LogP3.38
Rot. Bonds3

About ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 171530852) has the molecular formula C12H10BrF3N2O2 and a molecular weight of 351.12 g/mol. Its IUPAC name is ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID171530852
Molecular FormulaC12H10BrF3N2O2
Molecular Weight351.12 g/mol
Exact Mass349.99
IUPAC Nameethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)cccn2c1CC(F)(F)F
InChIInChI=1S/C12H10BrF3N2O2/c1-2-20-11(19)9-8(6-12(14,15)16)18-5-3-4-7(13)10(18)17-9/h3-5H,2,6H2,1H3
InChIKeyOQQCDYUERRIJRO-UHFFFAOYSA-N
XLogP3.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 82529290
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82355967
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 1-(2-bromophenyl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 118984643
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246
ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 10971097
ethyl 3-iodo-8-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 53249809
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 171530852) is ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2c(Br)cccn2c1CC(F)(F)F.
What is the InChIKey of ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is OQQCDYUERRIJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O2/c1-2-20-11(19)9-8(6-12(14,15)16)18-5-3-4-7(13)10(18)17-9/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 351.12 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 171530852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).