7-bromo-4-iodothieno[3,2-c]pyridine

C7H3BrINS — CID 118857267

IUPAC7-bromo-4-iodothieno[3,2-c]pyridine
SMILESBrc1cnc(I)c2ccsc12
InChIInChI=1S/C7H3BrINS/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H
InChIKeyKNYKNRPCXAVBAT-UHFFFAOYSA-N
MW339.98 g/mol
LogP3.66
Rot. Bonds

About 7-bromo-4-iodothieno[3,2-c]pyridine

7-bromo-4-iodothieno[3,2-c]pyridine (PubChem CID 118857267) has the molecular formula C7H3BrINS and a molecular weight of 339.98 g/mol. Its IUPAC name is 7-bromo-4-iodothieno[3,2-c]pyridine.

Molecular Properties

Compound Name7-bromo-4-iodothieno[3,2-c]pyridine
PubChem CID118857267
Molecular FormulaC7H3BrINS
Molecular Weight339.98 g/mol
Exact Mass338.82
IUPAC Name7-bromo-4-iodothieno[3,2-c]pyridine
SMILESBrc1cnc(I)c2ccsc12
InChIInChI=1S/C7H3BrINS/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H
InChIKeyKNYKNRPCXAVBAT-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.98
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-iodothieno[3,2-c]pyridine?
The IUPAC name of 7-bromo-4-iodothieno[3,2-c]pyridine (CID 118857267) is 7-bromo-4-iodothieno[3,2-c]pyridine.
What is the SMILES notation for 7-bromo-4-iodothieno[3,2-c]pyridine?
The canonical SMILES for 7-bromo-4-iodothieno[3,2-c]pyridine is Brc1cnc(I)c2ccsc12.
What is the InChIKey of 7-bromo-4-iodothieno[3,2-c]pyridine?
The InChIKey is KNYKNRPCXAVBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrINS/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H.
What are the key properties of 7-bromo-4-iodothieno[3,2-c]pyridine?
7-bromo-4-iodothieno[3,2-c]pyridine has a molecular weight of 339.98 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-iodothieno[3,2-c]pyridine is sourced from PubChem (CID 118857267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).