5-bromo-2-tert-butylsulfanylpyridine

C9H12BrNS — CID 61375299

IUPAC5-bromo-2-tert-butylsulfanylpyridine
SMILESCC(C)(C)Sc1ccc(Br)cn1
InChIInChI=1S/C9H12BrNS/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3
InChIKeyMTOBPQULIUQTEF-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.73
Rot. Bonds1

About 5-bromo-2-tert-butylsulfanylpyridine

5-bromo-2-tert-butylsulfanylpyridine (PubChem CID 61375299) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 5-bromo-2-tert-butylsulfanylpyridine.

Molecular Properties

Compound Name5-bromo-2-tert-butylsulfanylpyridine
PubChem CID61375299
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name5-bromo-2-tert-butylsulfanylpyridine
SMILESCC(C)(C)Sc1ccc(Br)cn1
InChIInChI=1S/C9H12BrNS/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3
InChIKeyMTOBPQULIUQTEF-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.73
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
2-Pyridinyl thiocyanate
CID 75835
6-(Methylsulphanyl)pyridine-3-boronic acid
CID 2762705
5-Bromo-2-(methylthio)pyridine
CID 11424251
2-(6-Bromopyridin-2-ylthio)-N,N-dimethylethanamine
CID 44374233
Cambridge id 5152058
CID 786787
2-(Methylsulfinyl)pyridine
CID 189940
2,2'-Thiodipyridine
CID 521114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butylsulfanylpyridine?
The IUPAC name of 5-bromo-2-tert-butylsulfanylpyridine (CID 61375299) is 5-bromo-2-tert-butylsulfanylpyridine.
What is the SMILES notation for 5-bromo-2-tert-butylsulfanylpyridine?
The canonical SMILES for 5-bromo-2-tert-butylsulfanylpyridine is CC(C)(C)Sc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-tert-butylsulfanylpyridine?
The InChIKey is MTOBPQULIUQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3.
What are the key properties of 5-bromo-2-tert-butylsulfanylpyridine?
5-bromo-2-tert-butylsulfanylpyridine has a molecular weight of 246.17 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butylsulfanylpyridine is sourced from PubChem (CID 61375299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).