methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate

C17H12F3NO3S — CID 1475827

IUPACmethyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO3S/c1-23-16(22)14-13(12-6-3-7-21-15(12)25-14)24-9-10-4-2-5-11(8-10)17(18,19)20/h2-8H,9H2,1H3
InChIKeyMHEHOXGHXATYKP-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.68
Rot. Bonds4

About methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1475827) has the molecular formula C17H12F3NO3S and a molecular weight of 367.35 g/mol. Its IUPAC name is methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1475827
Molecular FormulaC17H12F3NO3S
Molecular Weight367.35 g/mol
Exact Mass367.05
IUPAC Namemethyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO3S/c1-23-16(22)14-13(12-6-3-7-21-15(12)25-14)24-9-10-4-2-5-11(8-10)17(18,19)20/h2-8H,9H2,1H3
InChIKeyMHEHOXGHXATYKP-UHFFFAOYSA-N
XLogP4.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate (CID 1475827) is methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncccc2c1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is MHEHOXGHXATYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3S/c1-23-16(22)14-13(12-6-3-7-21-15(12)25-14)24-9-10-4-2-5-11(8-10)17(18,19)20/h2-8H,9H2,1H3.
What are the key properties of methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 367.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(trifluoromethyl)phenyl]methoxy]thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1475827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).