3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid

C8H4INO3S — CID 154574946

IUPAC3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncc(I)cc2c1O
InChIInChI=1S/C8H4INO3S/c9-3-1-4-5(11)6(8(12)13)14-7(4)10-2-3/h1-2,11H,(H,12,13)
InChIKeyJQYHGKQHNSLISG-UHFFFAOYSA-N
MW321.10 g/mol
LogP2.30
Rot. Bonds1

About 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid

3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 154574946) has the molecular formula C8H4INO3S and a molecular weight of 321.10 g/mol. Its IUPAC name is 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID154574946
Molecular FormulaC8H4INO3S
Molecular Weight321.10 g/mol
Exact Mass320.90
IUPAC Name3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncc(I)cc2c1O
InChIInChI=1S/C8H4INO3S/c9-3-1-4-5(11)6(8(12)13)14-7(4)10-2-3/h1-2,11H,(H,12,13)
InChIKeyJQYHGKQHNSLISG-UHFFFAOYSA-N
XLogP2.30
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid (CID 154574946) is 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncc(I)cc2c1O.
What is the InChIKey of 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is JQYHGKQHNSLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4INO3S/c9-3-1-4-5(11)6(8(12)13)14-7(4)10-2-3/h1-2,11H,(H,12,13).
What are the key properties of 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid?
3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 321.10 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 154574946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).