4-bromothieno[3,2-c]pyridine

C7H4BrNS — CID 57440549

IUPAC4-bromothieno[3,2-c]pyridine
SMILESBrc1nccc2sccc12
InChIInChI=1S/C7H4BrNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKeyKFLHTKWGSANOOL-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.06
Rot. Bonds

About 4-bromothieno[3,2-c]pyridine

4-bromothieno[3,2-c]pyridine (PubChem CID 57440549) has the molecular formula C7H4BrNS and a molecular weight of 214.09 g/mol. Its IUPAC name is 4-bromothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-bromothieno[3,2-c]pyridine
PubChem CID57440549
Molecular FormulaC7H4BrNS
Molecular Weight214.09 g/mol
Exact Mass212.92
IUPAC Name4-bromothieno[3,2-c]pyridine
SMILESBrc1nccc2sccc12
InChIInChI=1S/C7H4BrNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKeyKFLHTKWGSANOOL-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.06
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-bromothieno[3,2-c]pyridine?
The IUPAC name of 4-bromothieno[3,2-c]pyridine (CID 57440549) is 4-bromothieno[3,2-c]pyridine.
What is the SMILES notation for 4-bromothieno[3,2-c]pyridine?
The canonical SMILES for 4-bromothieno[3,2-c]pyridine is Brc1nccc2sccc12.
What is the InChIKey of 4-bromothieno[3,2-c]pyridine?
The InChIKey is KFLHTKWGSANOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H.
What are the key properties of 4-bromothieno[3,2-c]pyridine?
4-bromothieno[3,2-c]pyridine has a molecular weight of 214.09 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothieno[3,2-c]pyridine is sourced from PubChem (CID 57440549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).