3-iodothieno[3,2-b]pyridine

C7H4INS — CID 13220429

IUPAC3-iodothieno[3,2-b]pyridine
SMILESIc1csc2cccnc12
InChIInChI=1S/C7H4INS/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H
InChIKeyXYYGJSAXZJZKTI-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.90
Rot. Bonds

About 3-iodothieno[3,2-b]pyridine

3-iodothieno[3,2-b]pyridine (PubChem CID 13220429) has the molecular formula C7H4INS and a molecular weight of 261.09 g/mol. Its IUPAC name is 3-iodothieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-iodothieno[3,2-b]pyridine
PubChem CID13220429
Molecular FormulaC7H4INS
Molecular Weight261.09 g/mol
Exact Mass260.91
IUPAC Name3-iodothieno[3,2-b]pyridine
SMILESIc1csc2cccnc12
InChIInChI=1S/C7H4INS/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H
InChIKeyXYYGJSAXZJZKTI-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodothieno[3,2-b]pyridine?
The IUPAC name of 3-iodothieno[3,2-b]pyridine (CID 13220429) is 3-iodothieno[3,2-b]pyridine.
What is the SMILES notation for 3-iodothieno[3,2-b]pyridine?
The canonical SMILES for 3-iodothieno[3,2-b]pyridine is Ic1csc2cccnc12.
What is the InChIKey of 3-iodothieno[3,2-b]pyridine?
The InChIKey is XYYGJSAXZJZKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4INS/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H.
What are the key properties of 3-iodothieno[3,2-b]pyridine?
3-iodothieno[3,2-b]pyridine has a molecular weight of 261.09 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodothieno[3,2-b]pyridine is sourced from PubChem (CID 13220429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).