3-bromo-5-chlorothieno[3,2-b]pyridine

C7H3BrClNS — CID 71464339

IUPAC3-bromo-5-chlorothieno[3,2-b]pyridine
SMILESClc1ccc2scc(Br)c2n1
InChIInChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-6(9)10-7(4)5/h1-3H
InChIKeyQGZAMJYHCIHPCU-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.71
Rot. Bonds

About 3-bromo-5-chlorothieno[3,2-b]pyridine

3-bromo-5-chlorothieno[3,2-b]pyridine (PubChem CID 71464339) has the molecular formula C7H3BrClNS and a molecular weight of 248.53 g/mol. Its IUPAC name is 3-bromo-5-chlorothieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-bromo-5-chlorothieno[3,2-b]pyridine
PubChem CID71464339
Molecular FormulaC7H3BrClNS
Molecular Weight248.53 g/mol
Exact Mass246.89
IUPAC Name3-bromo-5-chlorothieno[3,2-b]pyridine
SMILESClc1ccc2scc(Br)c2n1
InChIInChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-6(9)10-7(4)5/h1-3H
InChIKeyQGZAMJYHCIHPCU-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chlorothieno[3,2-b]pyridine?
The IUPAC name of 3-bromo-5-chlorothieno[3,2-b]pyridine (CID 71464339) is 3-bromo-5-chlorothieno[3,2-b]pyridine.
What is the SMILES notation for 3-bromo-5-chlorothieno[3,2-b]pyridine?
The canonical SMILES for 3-bromo-5-chlorothieno[3,2-b]pyridine is Clc1ccc2scc(Br)c2n1.
What is the InChIKey of 3-bromo-5-chlorothieno[3,2-b]pyridine?
The InChIKey is QGZAMJYHCIHPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-6(9)10-7(4)5/h1-3H.
What are the key properties of 3-bromo-5-chlorothieno[3,2-b]pyridine?
3-bromo-5-chlorothieno[3,2-b]pyridine has a molecular weight of 248.53 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chlorothieno[3,2-b]pyridine is sourced from PubChem (CID 71464339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).