3-methylthieno[3,2-b]pyridine-7-carboxylic acid

C9H7NO2S — CID 131109716

IUPAC3-methylthieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1csc2c(C(=O)O)ccnc12
InChIInChI=1S/C9H7NO2S/c1-5-4-13-8-6(9(11)12)2-3-10-7(5)8/h2-4H,1H3,(H,11,12)
InChIKeyWSJBPWLWOGEGEW-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.30
Rot. Bonds1

About 3-methylthieno[3,2-b]pyridine-7-carboxylic acid

3-methylthieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 131109716) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-methylthieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-methylthieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID131109716
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name3-methylthieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1csc2c(C(=O)O)ccnc12
InChIInChI=1S/C9H7NO2S/c1-5-4-13-8-6(9(11)12)2-3-10-7(5)8/h2-4H,1H3,(H,11,12)
InChIKeyWSJBPWLWOGEGEW-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 3-methylthieno[3,2-b]pyridine-7-carboxylic acid (CID 131109716) is 3-methylthieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-methylthieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 3-methylthieno[3,2-b]pyridine-7-carboxylic acid is Cc1csc2c(C(=O)O)ccnc12.
What is the InChIKey of 3-methylthieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is WSJBPWLWOGEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-5-4-13-8-6(9(11)12)2-3-10-7(5)8/h2-4H,1H3,(H,11,12).
What are the key properties of 3-methylthieno[3,2-b]pyridine-7-carboxylic acid?
3-methylthieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 193.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 131109716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).