2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide

C10H12F4N2OS — CID 144627184

IUPAC2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide
SMILESCSCc1cc(C)nc(F)c1.NC(=O)C(F)(F)F
InChIInChI=1S/C8H10FNS.C2H2F3NO/c1-6-3-7(5-11-2)4-8(9)10-6;3-2(4,5)1(6)7/h3-4H,5H2,1-2H3;(H2,6,7)
InChIKeyLOVXCNMCLYEQCJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.43
Rot. Bonds2

About 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide

2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide (PubChem CID 144627184) has the molecular formula C10H12F4N2OS and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide
PubChem CID144627184
Molecular FormulaC10H12F4N2OS
Molecular Weight284.28 g/mol
Exact Mass284.06
IUPAC Name2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide
SMILESCSCc1cc(C)nc(F)c1.NC(=O)C(F)(F)F
InChIInChI=1S/C8H10FNS.C2H2F3NO/c1-6-3-7(5-11-2)4-8(9)10-6;3-2(4,5)1(6)7/h3-4H,5H2,1-2H3;(H2,6,7)
InChIKeyLOVXCNMCLYEQCJ-UHFFFAOYSA-N
XLogP2.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide?
The IUPAC name of 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide (CID 144627184) is 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide.
What is the SMILES notation for 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide?
The canonical SMILES for 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide is CSCc1cc(C)nc(F)c1.NC(=O)C(F)(F)F.
What is the InChIKey of 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide?
The InChIKey is LOVXCNMCLYEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS.C2H2F3NO/c1-6-3-7(5-11-2)4-8(9)10-6;3-2(4,5)1(6)7/h3-4H,5H2,1-2H3;(H2,6,7).
What are the key properties of 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide?
2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide has a molecular weight of 284.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide is sourced from PubChem (CID 144627184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).