7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine

C7H5ClINS — CID 166905294

IUPAC7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine
SMILESClc1ccnc2c1SC(I)C2
InChIInChI=1S/C7H5ClINS/c8-4-1-2-10-5-3-6(9)11-7(4)5/h1-2,6H,3H2
InChIKeyWYFNOQLJUGJZNC-UHFFFAOYSA-N
MW297.55 g/mol
LogP3.14
Rot. Bonds

About 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine

7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine (PubChem CID 166905294) has the molecular formula C7H5ClINS and a molecular weight of 297.55 g/mol. Its IUPAC name is 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine
PubChem CID166905294
Molecular FormulaC7H5ClINS
Molecular Weight297.55 g/mol
Exact Mass296.89
IUPAC Name7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine
SMILESClc1ccnc2c1SC(I)C2
InChIInChI=1S/C7H5ClINS/c8-4-1-2-10-5-3-6(9)11-7(4)5/h1-2,6H,3H2
InChIKeyWYFNOQLJUGJZNC-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine?
The IUPAC name of 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine (CID 166905294) is 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine?
The canonical SMILES for 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine is Clc1ccnc2c1SC(I)C2.
What is the InChIKey of 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine?
The InChIKey is WYFNOQLJUGJZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINS/c8-4-1-2-10-5-3-6(9)11-7(4)5/h1-2,6H,3H2.
What are the key properties of 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine?
7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine has a molecular weight of 297.55 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-iodo-2,3-dihydrothieno[3,2-b]pyridine is sourced from PubChem (CID 166905294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).