2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine

C14H14BrNS — CID 102925539

IUPAC2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine
SMILESCc1cc(C)nc(SCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrNS/c1-10-6-11(2)16-14(7-10)17-9-12-4-3-5-13(15)8-12/h3-8H,9H2,1-2H3
InChIKeyLXYXVWKUYGERBB-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.75
Rot. Bonds3

About 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine

2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine (PubChem CID 102925539) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine
PubChem CID102925539
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine
SMILESCc1cc(C)nc(SCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrNS/c1-10-6-11(2)16-14(7-10)17-9-12-4-3-5-13(15)8-12/h3-8H,9H2,1-2H3
InChIKeyLXYXVWKUYGERBB-UHFFFAOYSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine 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 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine (CID 102925539) is 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine is Cc1cc(C)nc(SCc2cccc(Br)c2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine?
The InChIKey is LXYXVWKUYGERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-10-6-11(2)16-14(7-10)17-9-12-4-3-5-13(15)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine?
2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine has a molecular weight of 308.24 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine is sourced from PubChem (CID 102925539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).