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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Related Compounds

thieno[3,2-b]pyridine 1-oxide
CID 57058089
4,7-phenanthroline-5,6-dione
CID 6764
cyclopenta[b]pyridine-5,7-dione
CID 20617921
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
5-(3-bromophenyl)-5-(4-fluoro-3,5-dimethylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 59327504
2-(4-bromophenyl)pyridine-3-carbaldehyde
CID 82380052
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
4-amino-3-(3-bromo-2-pyridinyl)-1H-1,2,4-triazole-5-thione
CID 107519542
2-(2,4,6-trimethylphenyl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide
CID 59573479
5,5-dichloroindeno[1,2-b]pyridine
CID 714437
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272

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).