methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate

C15H9F3N2O2S — CID 1486478

IUPACmethyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1
InChIInChI=1S/C15H9F3N2O2S/c1-22-14(21)13-11(9-4-2-3-5-19-9)12-10(23-13)6-8(7-20-12)15(16,17)18/h2-7H,1H3
InChIKeyDEQDEIDIVREGPF-UHFFFAOYSA-N
MW338.31 g/mol
LogP4.16
Rot. Bonds2

About methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 1486478) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID1486478
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC Namemethyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1
InChIInChI=1S/C15H9F3N2O2S/c1-22-14(21)13-11(9-4-2-3-5-19-9)12-10(23-13)6-8(7-20-12)15(16,17)18/h2-7H,1H3
InChIKeyDEQDEIDIVREGPF-UHFFFAOYSA-N
XLogP4.16
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate (CID 1486478) is methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1.
What is the InChIKey of methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is DEQDEIDIVREGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c1-22-14(21)13-11(9-4-2-3-5-19-9)12-10(23-13)6-8(7-20-12)15(16,17)18/h2-7H,1H3.
What are the key properties of methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 338.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 1486478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).