3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

C9H7NO3S — CID 62706328

IUPAC3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc2c(O)c(C(=O)O)sc2n1
InChIInChI=1S/C9H7NO3S/c1-4-2-3-5-6(11)7(9(12)13)14-8(5)10-4/h2-3,11H,1H3,(H,12,13)
InChIKeyNCQAVDMHYAKHRC-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.01
Rot. Bonds1

About 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid

3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 62706328) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID62706328
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc2c(O)c(C(=O)O)sc2n1
InChIInChI=1S/C9H7NO3S/c1-4-2-3-5-6(11)7(9(12)13)14-8(5)10-4/h2-3,11H,1H3,(H,12,13)
InChIKeyNCQAVDMHYAKHRC-UHFFFAOYSA-N
XLogP2.01
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid (CID 62706328) is 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1ccc2c(O)c(C(=O)O)sc2n1.
What is the InChIKey of 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is NCQAVDMHYAKHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-4-2-3-5-6(11)7(9(12)13)14-8(5)10-4/h2-3,11H,1H3,(H,12,13).
What are the key properties of 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid?
3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 62706328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).