methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate

C10H6F3NO3S — CID 2324443

IUPACmethyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2s1
InChIInChI=1S/C10H6F3NO3S/c1-17-9(16)6-2-4-5(10(11,12)13)3-7(15)14-8(4)18-6/h2-3H,1H3,(H,14,15)
InChIKeyRTLPUQBPJNNLJG-UHFFFAOYSA-N
MW277.22 g/mol
LogP2.39
Rot. Bonds1

About methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate

methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 2324443) has the molecular formula C10H6F3NO3S and a molecular weight of 277.22 g/mol. Its IUPAC name is methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate
PubChem CID2324443
Molecular FormulaC10H6F3NO3S
Molecular Weight277.22 g/mol
Exact Mass277.00
IUPAC Namemethyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2s1
InChIInChI=1S/C10H6F3NO3S/c1-17-9(16)6-2-4-5(10(11,12)13)3-7(15)14-8(4)18-6/h2-3H,1H3,(H,14,15)
InChIKeyRTLPUQBPJNNLJG-UHFFFAOYSA-N
XLogP2.39
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate (CID 2324443) is methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2s1.
What is the InChIKey of methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is RTLPUQBPJNNLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO3S/c1-17-9(16)6-2-4-5(10(11,12)13)3-7(15)14-8(4)18-6/h2-3H,1H3,(H,14,15).
What are the key properties of methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate?
methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 277.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2324443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).