5-bromo-2-(4-methylphenyl)sulfanylpyridine

C12H10BrNS — CID 55219804

IUPAC5-bromo-2-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H10BrNS/c1-9-2-5-11(6-3-9)15-12-7-4-10(13)8-14-12/h2-8H,1H3
InChIKeyFPLMBLRDPSDDMH-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.30
Rot. Bonds2

About 5-bromo-2-(4-methylphenyl)sulfanylpyridine

5-bromo-2-(4-methylphenyl)sulfanylpyridine (PubChem CID 55219804) has the molecular formula C12H10BrNS and a molecular weight of 280.19 g/mol. Its IUPAC name is 5-bromo-2-(4-methylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name5-bromo-2-(4-methylphenyl)sulfanylpyridine
PubChem CID55219804
Molecular FormulaC12H10BrNS
Molecular Weight280.19 g/mol
Exact Mass278.97
IUPAC Name5-bromo-2-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H10BrNS/c1-9-2-5-11(6-3-9)15-12-7-4-10(13)8-14-12/h2-8H,1H3
InChIKeyFPLMBLRDPSDDMH-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylphenyl)sulfanylpyridine?
The IUPAC name of 5-bromo-2-(4-methylphenyl)sulfanylpyridine (CID 55219804) is 5-bromo-2-(4-methylphenyl)sulfanylpyridine.
What is the SMILES notation for 5-bromo-2-(4-methylphenyl)sulfanylpyridine?
The canonical SMILES for 5-bromo-2-(4-methylphenyl)sulfanylpyridine is Cc1ccc(Sc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-2-(4-methylphenyl)sulfanylpyridine?
The InChIKey is FPLMBLRDPSDDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNS/c1-9-2-5-11(6-3-9)15-12-7-4-10(13)8-14-12/h2-8H,1H3.
What are the key properties of 5-bromo-2-(4-methylphenyl)sulfanylpyridine?
5-bromo-2-(4-methylphenyl)sulfanylpyridine has a molecular weight of 280.19 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylphenyl)sulfanylpyridine is sourced from PubChem (CID 55219804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).