3-bromo-4-chlorothieno[3,2-c]pyridine

C7H3BrClNS — CID 18450773

IUPAC3-bromo-4-chlorothieno[3,2-c]pyridine
SMILESClc1nccc2scc(Br)c12
InChIInChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
InChIKeyFXIKIVFBAQCMRY-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.71
Rot. Bonds

About 3-bromo-4-chlorothieno[3,2-c]pyridine

3-bromo-4-chlorothieno[3,2-c]pyridine (PubChem CID 18450773) has the molecular formula C7H3BrClNS and a molecular weight of 248.53 g/mol. Its IUPAC name is 3-bromo-4-chlorothieno[3,2-c]pyridine.

Molecular Properties

Compound Name3-bromo-4-chlorothieno[3,2-c]pyridine
PubChem CID18450773
Molecular FormulaC7H3BrClNS
Molecular Weight248.53 g/mol
Exact Mass246.89
IUPAC Name3-bromo-4-chlorothieno[3,2-c]pyridine
SMILESClc1nccc2scc(Br)c12
InChIInChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
InChIKeyFXIKIVFBAQCMRY-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-4-chlorothieno[3,2-c]pyridine?
The IUPAC name of 3-bromo-4-chlorothieno[3,2-c]pyridine (CID 18450773) is 3-bromo-4-chlorothieno[3,2-c]pyridine.
What is the SMILES notation for 3-bromo-4-chlorothieno[3,2-c]pyridine?
The canonical SMILES for 3-bromo-4-chlorothieno[3,2-c]pyridine is Clc1nccc2scc(Br)c12.
What is the InChIKey of 3-bromo-4-chlorothieno[3,2-c]pyridine?
The InChIKey is FXIKIVFBAQCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H.
What are the key properties of 3-bromo-4-chlorothieno[3,2-c]pyridine?
3-bromo-4-chlorothieno[3,2-c]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-4-chlorothieno[3,2-c]pyridine is sourced from PubChem (CID 18450773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).