7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium

C7H4ClINOS+ — CID 166905295

IUPAC7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium
SMILESO[n+]1ccc(Cl)c2sc(I)cc21
InChIInChI=1S/C7H4ClINOS/c8-4-1-2-10(11)5-3-6(9)12-7(4)5/h1-3,11H/q+1
InChIKeyKCMWNPJJKZTNKH-UHFFFAOYSA-N
MW312.54 g/mol
LogP2.68
Rot. Bonds

About 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium

7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium (PubChem CID 166905295) has the molecular formula C7H4ClINOS+ and a molecular weight of 312.54 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium.

Molecular Properties

Compound Name7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium
PubChem CID166905295
Molecular FormulaC7H4ClINOS+
Molecular Weight312.54 g/mol
Exact Mass311.87
IUPAC Name7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium
SMILESO[n+]1ccc(Cl)c2sc(I)cc21
InChIInChI=1S/C7H4ClINOS/c8-4-1-2-10(11)5-3-6(9)12-7(4)5/h1-3,11H/q+1
InChIKeyKCMWNPJJKZTNKH-UHFFFAOYSA-N
XLogP2.68
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium?
The IUPAC name of 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium (CID 166905295) is 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium.
What is the SMILES notation for 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium?
The canonical SMILES for 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium is O[n+]1ccc(Cl)c2sc(I)cc21.
What is the InChIKey of 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium?
The InChIKey is KCMWNPJJKZTNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClINOS/c8-4-1-2-10(11)5-3-6(9)12-7(4)5/h1-3,11H/q+1.
What are the key properties of 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium?
7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium has a molecular weight of 312.54 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-2-iodothieno[3,2-b]pyridin-4-ium is sourced from PubChem (CID 166905295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).