methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

C15H10F3N3O2S — CID 1086462

IUPACmethyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccncc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H10F3N3O2S/c1-23-14(22)12-11(19)10-8(15(16,17)18)6-9(21-13(10)24-12)7-2-4-20-5-3-7/h2-6H,19H2,1H3
InChIKeyVJKLXICZOFLFQX-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.75
Rot. Bonds2

About methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1086462) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1086462
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC Namemethyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccncc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H10F3N3O2S/c1-23-14(22)12-11(19)10-8(15(16,17)18)6-9(21-13(10)24-12)7-2-4-20-5-3-7/h2-6H,19H2,1H3
InChIKeyVJKLXICZOFLFQX-UHFFFAOYSA-N
XLogP3.75
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 1086462) is methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(-c3ccncc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is VJKLXICZOFLFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c1-23-14(22)12-11(19)10-8(15(16,17)18)6-9(21-13(10)24-12)7-2-4-20-5-3-7/h2-6H,19H2,1H3.
What are the key properties of methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 353.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1086462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).