3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine

C10H9BrN2O2S — CID 159049899

IUPAC3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
SMILESCc1ccc(Br)n1S(=O)(=O)c1cccnc1
InChIInChI=1S/C10H9BrN2O2S/c1-8-4-5-10(11)13(8)16(14,15)9-3-2-6-12-7-9/h2-7H,1H3
InChIKeyUTWMUZIUVJLLGI-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.19
Rot. Bonds2

About 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine

3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine (PubChem CID 159049899) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
PubChem CID159049899
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
SMILESCc1ccc(Br)n1S(=O)(=O)c1cccnc1
InChIInChI=1S/C10H9BrN2O2S/c1-8-4-5-10(11)13(8)16(14,15)9-3-2-6-12-7-9/h2-7H,1H3
InChIKeyUTWMUZIUVJLLGI-UHFFFAOYSA-N
XLogP2.19
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine?
The IUPAC name of 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine (CID 159049899) is 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine?
The canonical SMILES for 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine is Cc1ccc(Br)n1S(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine?
The InChIKey is UTWMUZIUVJLLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-8-4-5-10(11)13(8)16(14,15)9-3-2-6-12-7-9/h2-7H,1H3.
What are the key properties of 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine?
3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine has a molecular weight of 301.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine is sourced from PubChem (CID 159049899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).