3-bromothieno[3,2-b]pyridine 1-oxide

C7H4BrNOS — CID 68560365

IUPAC3-bromothieno[3,2-b]pyridine 1-oxide
SMILESO=S1C=C(Br)c2ncccc21
InChIInChI=1S/C7H4BrNOS/c8-5-4-11(10)6-2-1-3-9-7(5)6/h1-4H
InChIKeyZSWFEKUSOVKGBG-UHFFFAOYSA-N
MW230.09 g/mol
LogP1.90
Rot. Bonds

About 3-bromothieno[3,2-b]pyridine 1-oxide

3-bromothieno[3,2-b]pyridine 1-oxide (PubChem CID 68560365) has the molecular formula C7H4BrNOS and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-bromothieno[3,2-b]pyridine 1-oxide.

Molecular Properties

Compound Name3-bromothieno[3,2-b]pyridine 1-oxide
PubChem CID68560365
Molecular FormulaC7H4BrNOS
Molecular Weight230.09 g/mol
Exact Mass228.92
IUPAC Name3-bromothieno[3,2-b]pyridine 1-oxide
SMILESO=S1C=C(Br)c2ncccc21
InChIInChI=1S/C7H4BrNOS/c8-5-4-11(10)6-2-1-3-9-7(5)6/h1-4H
InChIKeyZSWFEKUSOVKGBG-UHFFFAOYSA-N
XLogP1.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromothieno[3,2-b]pyridine 1-oxide?
The IUPAC name of 3-bromothieno[3,2-b]pyridine 1-oxide (CID 68560365) is 3-bromothieno[3,2-b]pyridine 1-oxide.
What is the SMILES notation for 3-bromothieno[3,2-b]pyridine 1-oxide?
The canonical SMILES for 3-bromothieno[3,2-b]pyridine 1-oxide is O=S1C=C(Br)c2ncccc21.
What is the InChIKey of 3-bromothieno[3,2-b]pyridine 1-oxide?
The InChIKey is ZSWFEKUSOVKGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNOS/c8-5-4-11(10)6-2-1-3-9-7(5)6/h1-4H.
What are the key properties of 3-bromothieno[3,2-b]pyridine 1-oxide?
3-bromothieno[3,2-b]pyridine 1-oxide has a molecular weight of 230.09 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromothieno[3,2-b]pyridine 1-oxide is sourced from PubChem (CID 68560365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).