6-bromo-2-methyl-3-methylsulfanylpyridine

C7H8BrNS — CID 175568544

IUPAC6-bromo-2-methyl-3-methylsulfanylpyridine
SMILESCSc1ccc(Br)nc1C
InChIInChI=1S/C7H8BrNS/c1-5-6(10-2)3-4-7(8)9-5/h3-4H,1-2H3
InChIKeyRKNWMXIKNVTWCR-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.87
Rot. Bonds1

About 6-bromo-2-methyl-3-methylsulfanylpyridine

6-bromo-2-methyl-3-methylsulfanylpyridine (PubChem CID 175568544) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-methylsulfanylpyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-3-methylsulfanylpyridine
PubChem CID175568544
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name6-bromo-2-methyl-3-methylsulfanylpyridine
SMILESCSc1ccc(Br)nc1C
InChIInChI=1S/C7H8BrNS/c1-5-6(10-2)3-4-7(8)9-5/h3-4H,1-2H3
InChIKeyRKNWMXIKNVTWCR-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-methylsulfanylpyridine?
The IUPAC name of 6-bromo-2-methyl-3-methylsulfanylpyridine (CID 175568544) is 6-bromo-2-methyl-3-methylsulfanylpyridine.
What is the SMILES notation for 6-bromo-2-methyl-3-methylsulfanylpyridine?
The canonical SMILES for 6-bromo-2-methyl-3-methylsulfanylpyridine is CSc1ccc(Br)nc1C.
What is the InChIKey of 6-bromo-2-methyl-3-methylsulfanylpyridine?
The InChIKey is RKNWMXIKNVTWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS/c1-5-6(10-2)3-4-7(8)9-5/h3-4H,1-2H3.
What are the key properties of 6-bromo-2-methyl-3-methylsulfanylpyridine?
6-bromo-2-methyl-3-methylsulfanylpyridine has a molecular weight of 218.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-methylsulfanylpyridine is sourced from PubChem (CID 175568544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).