2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid

C17H11NO3S2 — CID 22143506

IUPAC2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid
SMILESCc1sc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)O
InChIInChI=1S/C17H11NO3S2/c1-9-15(17(19)20)11-3-2-10(8-14(11)23-9)21-13-4-6-18-12-5-7-22-16(12)13/h2-8H,1H3,(H,19,20)
InChIKeyLRTRIKKCTKORGD-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.31
Rot. Bonds3

About 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid

2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid (PubChem CID 22143506) has the molecular formula C17H11NO3S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid
PubChem CID22143506
Molecular FormulaC17H11NO3S2
Molecular Weight341.41 g/mol
Exact Mass341.02
IUPAC Name2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid
SMILESCc1sc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)O
InChIInChI=1S/C17H11NO3S2/c1-9-15(17(19)20)11-3-2-10(8-14(11)23-9)21-13-4-6-18-12-5-7-22-16(12)13/h2-8H,1H3,(H,19,20)
InChIKeyLRTRIKKCTKORGD-UHFFFAOYSA-N
XLogP5.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
The IUPAC name of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid (CID 22143506) is 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid is Cc1sc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)O.
What is the InChIKey of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
The InChIKey is LRTRIKKCTKORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S2/c1-9-15(17(19)20)11-3-2-10(8-14(11)23-9)21-13-4-6-18-12-5-7-22-16(12)13/h2-8H,1H3,(H,19,20).
What are the key properties of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid is sourced from PubChem (CID 22143506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).