thieno[3,2-b]pyridine-3-carboxylic acid

C8H5NO2S — CID 66520716

IUPACthieno[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1csc2cccnc12
InChIInChI=1S/C8H5NO2S/c10-8(11)5-4-12-6-2-1-3-9-7(5)6/h1-4H,(H,10,11)
InChIKeyDMXABPANVQBYLS-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.99
Rot. Bonds1

About thieno[3,2-b]pyridine-3-carboxylic acid

thieno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 66520716) has the molecular formula C8H5NO2S and a molecular weight of 179.20 g/mol. Its IUPAC name is thieno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namethieno[3,2-b]pyridine-3-carboxylic acid
PubChem CID66520716
Molecular FormulaC8H5NO2S
Molecular Weight179.20 g/mol
Exact Mass179.00
IUPAC Namethieno[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1csc2cccnc12
InChIInChI=1S/C8H5NO2S/c10-8(11)5-4-12-6-2-1-3-9-7(5)6/h1-4H,(H,10,11)
InChIKeyDMXABPANVQBYLS-UHFFFAOYSA-N
XLogP1.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of thieno[3,2-b]pyridine-3-carboxylic acid (CID 66520716) is thieno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for thieno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for thieno[3,2-b]pyridine-3-carboxylic acid is O=C(O)c1csc2cccnc12.
What is the InChIKey of thieno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is DMXABPANVQBYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S/c10-8(11)5-4-12-6-2-1-3-9-7(5)6/h1-4H,(H,10,11).
What are the key properties of thieno[3,2-b]pyridine-3-carboxylic acid?
thieno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 179.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 66520716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).