2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane

C10H15BrFNS — CID 168939145

IUPAC2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane
SMILESCC.CSCc1cc(F)c(Br)nc1C
InChIInChI=1S/C8H9BrFNS.C2H6/c1-5-6(4-12-2)3-7(10)8(9)11-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyPWVSGIMWOPYMSJ-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.18
Rot. Bonds2

About 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane

2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane (PubChem CID 168939145) has the molecular formula C10H15BrFNS and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane
PubChem CID168939145
Molecular FormulaC10H15BrFNS
Molecular Weight280.21 g/mol
Exact Mass279.01
IUPAC Name2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane
SMILESCC.CSCc1cc(F)c(Br)nc1C
InChIInChI=1S/C8H9BrFNS.C2H6/c1-5-6(4-12-2)3-7(10)8(9)11-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyPWVSGIMWOPYMSJ-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane?
The IUPAC name of 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane (CID 168939145) is 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane.
What is the SMILES notation for 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane?
The canonical SMILES for 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane is CC.CSCc1cc(F)c(Br)nc1C.
What is the InChIKey of 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane?
The InChIKey is PWVSGIMWOPYMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNS.C2H6/c1-5-6(4-12-2)3-7(10)8(9)11-5;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane?
2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane has a molecular weight of 280.21 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-methyl-5-(methylsulfanylmethyl)pyridine;ethane is sourced from PubChem (CID 168939145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).