2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine

C10H13F2NS — CID 59589116

IUPAC2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine
SMILESCSc1nc(C(C)(C)C)c(F)cc1F
InChIInChI=1S/C10H13F2NS/c1-10(2,3)8-6(11)5-7(12)9(13-8)14-4/h5H,1-4H3
InChIKeyXPEWXSZMUWVTSW-UHFFFAOYSA-N
MW217.28 g/mol
LogP3.38
Rot. Bonds1

About 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine

2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine (PubChem CID 59589116) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine
PubChem CID59589116
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine
SMILESCSc1nc(C(C)(C)C)c(F)cc1F
InChIInChI=1S/C10H13F2NS/c1-10(2,3)8-6(11)5-7(12)9(13-8)14-4/h5H,1-4H3
InChIKeyXPEWXSZMUWVTSW-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine?
The IUPAC name of 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine (CID 59589116) is 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine.
What is the SMILES notation for 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine?
The canonical SMILES for 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine is CSc1nc(C(C)(C)C)c(F)cc1F.
What is the InChIKey of 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine?
The InChIKey is XPEWXSZMUWVTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-10(2,3)8-6(11)5-7(12)9(13-8)14-4/h5H,1-4H3.
What are the key properties of 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine?
2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine has a molecular weight of 217.28 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-difluoro-6-methylsulfanylpyridine is sourced from PubChem (CID 59589116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).