ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine

C10H16FNS — CID 143715565

IUPACethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine
SMILESCC.CSCc1cc(C)ncc1F
InChIInChI=1S/C8H10FNS.C2H6/c1-6-3-7(5-11-2)8(9)4-10-6;1-2/h3-4H,5H2,1-2H3;1-2H3
InChIKeyOSFBJTKQHDRQAM-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.42
Rot. Bonds2

About ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine

ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine (PubChem CID 143715565) has the molecular formula C10H16FNS and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Nameethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine
PubChem CID143715565
Molecular FormulaC10H16FNS
Molecular Weight201.31 g/mol
Exact Mass201.10
IUPAC Nameethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine
SMILESCC.CSCc1cc(C)ncc1F
InChIInChI=1S/C8H10FNS.C2H6/c1-6-3-7(5-11-2)8(9)4-10-6;1-2/h3-4H,5H2,1-2H3;1-2H3
InChIKeyOSFBJTKQHDRQAM-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine?
The IUPAC name of ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine (CID 143715565) is ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine?
The canonical SMILES for ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine is CC.CSCc1cc(C)ncc1F.
What is the InChIKey of ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine?
The InChIKey is OSFBJTKQHDRQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS.C2H6/c1-6-3-7(5-11-2)8(9)4-10-6;1-2/h3-4H,5H2,1-2H3;1-2H3.
What are the key properties of ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine?
ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine has a molecular weight of 201.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 143715565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).