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

C9H7NO3S — CID 11344821

IUPAC3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)sc2ncccc12
InChIInChI=1S/C9H7NO3S/c1-13-6-5-3-2-4-10-8(5)14-7(6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyCZGBNQUOOFCFKJ-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.00
Rot. Bonds2

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

3-methoxythieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 11344821) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID11344821
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)sc2ncccc12
InChIInChI=1S/C9H7NO3S/c1-13-6-5-3-2-4-10-8(5)14-7(6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyCZGBNQUOOFCFKJ-UHFFFAOYSA-N
XLogP2.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid (CID 11344821) is 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid is COc1c(C(=O)O)sc2ncccc12.
What is the InChIKey of 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is CZGBNQUOOFCFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-13-6-5-3-2-4-10-8(5)14-7(6)9(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid?
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 11344821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).