ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

C11H8ClF3N2O2 — CID 163342934

IUPACethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C11H8ClF3N2O2/c1-2-19-10(18)8-4-16-9-7(12)3-6(5-17(8)9)11(13,14)15/h3-5H,2H2,1H3
InChIKeyGRZAWBLBIDVEPU-UHFFFAOYSA-N
MW292.64 g/mol
LogP3.18
Rot. Bonds2

About ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 163342934) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID163342934
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Nameethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C11H8ClF3N2O2/c1-2-19-10(18)8-4-16-9-7(12)3-6(5-17(8)9)11(13,14)15/h3-5H,2H2,1H3
InChIKeyGRZAWBLBIDVEPU-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
CID 126963652
ethyl 2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 79471481
1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82029153
ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
CID 91757252
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
CID 139934938
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxo-4H-1,2,4-triazine-6-carboxylate
CID 136768831
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 71606958
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 166563440
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;3-chloro-5-(trifluoromethyl)pyridin-2-amine;ethyl 3-bromo-2-oxopropanoate;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 161334679

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 163342934) is ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is GRZAWBLBIDVEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c1-2-19-10(18)8-4-16-9-7(12)3-6(5-17(8)9)11(13,14)15/h3-5H,2H2,1H3.
What are the key properties of ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 292.64 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 163342934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).