5-bromo-2-[(S)-methylsulfinyl]pyridine

C6H6BrNOS — CID 171991635

IUPAC5-bromo-2-[(S)-methylsulfinyl]pyridine
SMILESC[S@](=O)c1ccc(Br)cn1
InChIInChI=1S/C6H6BrNOS/c1-10(9)6-3-2-5(7)4-8-6/h2-4H,1H3/t10-/m0/s1
InChIKeyHMMVPDIRAHTPSX-JTQLQIEISA-N
MW220.09 g/mol
LogP1.58
Rot. Bonds1

About 5-bromo-2-[(S)-methylsulfinyl]pyridine

5-bromo-2-[(S)-methylsulfinyl]pyridine (PubChem CID 171991635) has the molecular formula C6H6BrNOS and a molecular weight of 220.09 g/mol. Its IUPAC name is 5-bromo-2-[(S)-methylsulfinyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(S)-methylsulfinyl]pyridine
PubChem CID171991635
Molecular FormulaC6H6BrNOS
Molecular Weight220.09 g/mol
Exact Mass218.94
IUPAC Name5-bromo-2-[(S)-methylsulfinyl]pyridine
SMILESC[S@](=O)c1ccc(Br)cn1
InChIInChI=1S/C6H6BrNOS/c1-10(9)6-3-2-5(7)4-8-6/h2-4H,1H3/t10-/m0/s1
InChIKeyHMMVPDIRAHTPSX-JTQLQIEISA-N
XLogP1.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(S)-methylsulfinyl]pyridine?
The IUPAC name of 5-bromo-2-[(S)-methylsulfinyl]pyridine (CID 171991635) is 5-bromo-2-[(S)-methylsulfinyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(S)-methylsulfinyl]pyridine?
The canonical SMILES for 5-bromo-2-[(S)-methylsulfinyl]pyridine is C[S@](=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(S)-methylsulfinyl]pyridine?
The InChIKey is HMMVPDIRAHTPSX-JTQLQIEISA-N. The full InChI is InChI=1S/C6H6BrNOS/c1-10(9)6-3-2-5(7)4-8-6/h2-4H,1H3/t10-/m0/s1.
What are the key properties of 5-bromo-2-[(S)-methylsulfinyl]pyridine?
5-bromo-2-[(S)-methylsulfinyl]pyridine has a molecular weight of 220.09 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(S)-methylsulfinyl]pyridine is sourced from PubChem (CID 171991635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).