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

C7H3BrClNS — CID 119031077

IUPAC4-bromo-7-chlorothieno[2,3-c]pyridine
SMILESClc1ncc(Br)c2ccsc12
InChIInChI=1S/C7H3BrClNS/c8-5-3-10-7(9)6-4(5)1-2-11-6/h1-3H
InChIKeyFTJMGIUQCYPERH-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.71
Rot. Bonds

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

4-bromo-7-chlorothieno[2,3-c]pyridine (PubChem CID 119031077) has the molecular formula C7H3BrClNS and a molecular weight of 248.53 g/mol. Its IUPAC name is 4-bromo-7-chlorothieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-chlorothieno[2,3-c]pyridine
PubChem CID119031077
Molecular FormulaC7H3BrClNS
Molecular Weight248.53 g/mol
Exact Mass246.89
IUPAC Name4-bromo-7-chlorothieno[2,3-c]pyridine
SMILESClc1ncc(Br)c2ccsc12
InChIInChI=1S/C7H3BrClNS/c8-5-3-10-7(9)6-4(5)1-2-11-6/h1-3H
InChIKeyFTJMGIUQCYPERH-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 4-bromo-7-chlorothieno[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-chlorothieno[2,3-c]pyridine (CID 119031077) is 4-bromo-7-chlorothieno[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-chlorothieno[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-chlorothieno[2,3-c]pyridine is Clc1ncc(Br)c2ccsc12.
What is the InChIKey of 4-bromo-7-chlorothieno[2,3-c]pyridine?
The InChIKey is FTJMGIUQCYPERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS/c8-5-3-10-7(9)6-4(5)1-2-11-6/h1-3H.
What are the key properties of 4-bromo-7-chlorothieno[2,3-c]pyridine?
4-bromo-7-chlorothieno[2,3-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 4-bromo-7-chlorothieno[2,3-c]pyridine is sourced from PubChem (CID 119031077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).