3-bromo-2-methyl-4-methylsulfanylpyridine

C7H8BrNS — CID 170993138

IUPAC3-bromo-2-methyl-4-methylsulfanylpyridine
SMILESCSc1ccnc(C)c1Br
InChIInChI=1S/C7H8BrNS/c1-5-7(8)6(10-2)3-4-9-5/h3-4H,1-2H3
InChIKeyOICBZWCLZHIZMZ-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.87
Rot. Bonds1

About 3-bromo-2-methyl-4-methylsulfanylpyridine

3-bromo-2-methyl-4-methylsulfanylpyridine (PubChem CID 170993138) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 3-bromo-2-methyl-4-methylsulfanylpyridine.

Molecular Properties

Compound Name3-bromo-2-methyl-4-methylsulfanylpyridine
PubChem CID170993138
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name3-bromo-2-methyl-4-methylsulfanylpyridine
SMILESCSc1ccnc(C)c1Br
InChIInChI=1S/C7H8BrNS/c1-5-7(8)6(10-2)3-4-9-5/h3-4H,1-2H3
InChIKeyOICBZWCLZHIZMZ-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-4-methylsulfanylpyridine?
The IUPAC name of 3-bromo-2-methyl-4-methylsulfanylpyridine (CID 170993138) is 3-bromo-2-methyl-4-methylsulfanylpyridine.
What is the SMILES notation for 3-bromo-2-methyl-4-methylsulfanylpyridine?
The canonical SMILES for 3-bromo-2-methyl-4-methylsulfanylpyridine is CSc1ccnc(C)c1Br.
What is the InChIKey of 3-bromo-2-methyl-4-methylsulfanylpyridine?
The InChIKey is OICBZWCLZHIZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS/c1-5-7(8)6(10-2)3-4-9-5/h3-4H,1-2H3.
What are the key properties of 3-bromo-2-methyl-4-methylsulfanylpyridine?
3-bromo-2-methyl-4-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 3-bromo-2-methyl-4-methylsulfanylpyridine is sourced from PubChem (CID 170993138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).