methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate

C10H7F3N2O2S — CID 132580637

IUPACmethyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(SC(F)(F)F)n2c1
InChIInChI=1S/C10H7F3N2O2S/c1-17-9(16)6-2-3-7-14-4-8(15(7)5-6)18-10(11,12)13/h2-5H,1H3
InChIKeyOHOANUIGCIFVOH-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.73
Rot. Bonds2

About methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 132580637) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID132580637
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Namemethyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(SC(F)(F)F)n2c1
InChIInChI=1S/C10H7F3N2O2S/c1-17-9(16)6-2-3-7-14-4-8(15(7)5-6)18-10(11,12)13/h2-5H,1H3
InChIKeyOHOANUIGCIFVOH-UHFFFAOYSA-N
XLogP2.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 132580637) is methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2ncc(SC(F)(F)F)n2c1.
What is the InChIKey of methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is OHOANUIGCIFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c1-17-9(16)6-2-3-7-14-4-8(15(7)5-6)18-10(11,12)13/h2-5H,1H3.
What are the key properties of methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 276.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 132580637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).