3-bromo-2-methylsulfanylpyridine

C6H6BrNS — CID 12533396

IUPAC3-bromo-2-methylsulfanylpyridine
SMILESCSc1ncccc1Br
InChIInChI=1S/C6H6BrNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyUZRUCGBRGXJVHQ-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.57
Rot. Bonds1

About 3-bromo-2-methylsulfanylpyridine

3-bromo-2-methylsulfanylpyridine (PubChem CID 12533396) has the molecular formula C6H6BrNS and a molecular weight of 204.09 g/mol. Its IUPAC name is 3-bromo-2-methylsulfanylpyridine.

Molecular Properties

Compound Name3-bromo-2-methylsulfanylpyridine
PubChem CID12533396
Molecular FormulaC6H6BrNS
Molecular Weight204.09 g/mol
Exact Mass202.94
IUPAC Name3-bromo-2-methylsulfanylpyridine
SMILESCSc1ncccc1Br
InChIInChI=1S/C6H6BrNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyUZRUCGBRGXJVHQ-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-methylsulfanylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylsulfanylpyridine?
The IUPAC name of 3-bromo-2-methylsulfanylpyridine (CID 12533396) is 3-bromo-2-methylsulfanylpyridine.
What is the SMILES notation for 3-bromo-2-methylsulfanylpyridine?
The canonical SMILES for 3-bromo-2-methylsulfanylpyridine is CSc1ncccc1Br.
What is the InChIKey of 3-bromo-2-methylsulfanylpyridine?
The InChIKey is UZRUCGBRGXJVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3.
What are the key properties of 3-bromo-2-methylsulfanylpyridine?
3-bromo-2-methylsulfanylpyridine has a molecular weight of 204.09 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylsulfanylpyridine is sourced from PubChem (CID 12533396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).