2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine

C7H8INS — CID 166842058

IUPAC2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESIC1CC2=C(CNC=C2)S1
InChIInChI=1S/C7H8INS/c8-7-3-5-1-2-9-4-6(5)10-7/h1-2,7,9H,3-4H2
InChIKeyHJQHEVYMUATQHT-UHFFFAOYSA-N
MW265.12 g/mol
LogP2.26
Rot. Bonds

About 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine

2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 166842058) has the molecular formula C7H8INS and a molecular weight of 265.12 g/mol. Its IUPAC name is 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID166842058
Molecular FormulaC7H8INS
Molecular Weight265.12 g/mol
Exact Mass264.94
IUPAC Name2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESIC1CC2=C(CNC=C2)S1
InChIInChI=1S/C7H8INS/c8-7-3-5-1-2-9-4-6(5)10-7/h1-2,7,9H,3-4H2
InChIKeyHJQHEVYMUATQHT-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 52.26
H-Bond Donors ≤ 51
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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Related Compounds

1,3,4,5-Tetrahydrothieno[3,4-c]pyridine
CID 17801431
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine
CID 69961869
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 140355253
2,3,4,5-Tetrahydrothieno[3,2-c]pyridine;dihydrochloride
CID 143873973
7-Chloro-2,3,6,7-tetrahydrothieno[2,3-c]pyridine
CID 166842042

Frequently Asked Questions

What is the IUPAC name of 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine (CID 166842058) is 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine is IC1CC2=C(CNC=C2)S1.
What is the InChIKey of 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is HJQHEVYMUATQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INS/c8-7-3-5-1-2-9-4-6(5)10-7/h1-2,7,9H,3-4H2.
What are the key properties of 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine?
2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 265.12 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2,3,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 166842058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).