3-bromo-5-propan-2-ylsulfanylpyridine

C8H10BrNS — CID 18433345

IUPAC3-bromo-5-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1cncc(Br)c1
InChIInChI=1S/C8H10BrNS/c1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3
InChIKeyFUPUPTGOPJXUTI-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.34
Rot. Bonds2

About 3-bromo-5-propan-2-ylsulfanylpyridine

3-bromo-5-propan-2-ylsulfanylpyridine (PubChem CID 18433345) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 3-bromo-5-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3-bromo-5-propan-2-ylsulfanylpyridine
PubChem CID18433345
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name3-bromo-5-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1cncc(Br)c1
InChIInChI=1S/C8H10BrNS/c1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3
InChIKeyFUPUPTGOPJXUTI-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-ylsulfanylpyridine?
The IUPAC name of 3-bromo-5-propan-2-ylsulfanylpyridine (CID 18433345) is 3-bromo-5-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 3-bromo-5-propan-2-ylsulfanylpyridine?
The canonical SMILES for 3-bromo-5-propan-2-ylsulfanylpyridine is CC(C)Sc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-propan-2-ylsulfanylpyridine?
The InChIKey is FUPUPTGOPJXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3.
What are the key properties of 3-bromo-5-propan-2-ylsulfanylpyridine?
3-bromo-5-propan-2-ylsulfanylpyridine has a molecular weight of 232.15 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 18433345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).