5-bromo-2-ethylsulfanylpyridine

C7H8BrNS — CID 19827293

IUPAC5-bromo-2-ethylsulfanylpyridine
SMILESCCSc1ccc(Br)cn1
InChIInChI=1S/C7H8BrNS/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKeyLOZFITIIRWTYPM-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.96
Rot. Bonds2

About 5-bromo-2-ethylsulfanylpyridine

5-bromo-2-ethylsulfanylpyridine (PubChem CID 19827293) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 5-bromo-2-ethylsulfanylpyridine.

Molecular Properties

Compound Name5-bromo-2-ethylsulfanylpyridine
PubChem CID19827293
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name5-bromo-2-ethylsulfanylpyridine
SMILESCCSc1ccc(Br)cn1
InChIInChI=1S/C7H8BrNS/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
InChIKeyLOZFITIIRWTYPM-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromopyridine
CID 12286
2-Phenylthiopyridine
CID 817760
Pyridine, 2-(methylthio)-
CID 29076
4-[2-(4-Bromophenylsulfanyl)ethyl]pyridine
CID 761519
Pyridine, 3-(methylthio)-
CID 140425
4-(Methylthio)pyridine
CID 140938
2-Pyridinyl thiocyanate
CID 75835
6-(Methylsulphanyl)pyridine-3-boronic acid
CID 2762705
2-(2-Pyridylthio)ethan-1-ol
CID 2774933
B-[2-(Methylthio)-3-pyridinyl]boronic acid
CID 44755183
5-Bromo-2-(methylthio)pyridine
CID 11424251
2-(6-Bromopyridin-2-ylthio)-N,N-dimethylethanamine
CID 44374233

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylsulfanylpyridine?
The IUPAC name of 5-bromo-2-ethylsulfanylpyridine (CID 19827293) is 5-bromo-2-ethylsulfanylpyridine.
What is the SMILES notation for 5-bromo-2-ethylsulfanylpyridine?
The canonical SMILES for 5-bromo-2-ethylsulfanylpyridine is CCSc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-ethylsulfanylpyridine?
The InChIKey is LOZFITIIRWTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-2-ethylsulfanylpyridine?
5-bromo-2-ethylsulfanylpyridine has a molecular weight of 218.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylsulfanylpyridine is sourced from PubChem (CID 19827293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).