N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide

C8H8F2N2OS — CID 103097765

IUPACN-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H8F2N2OS/c1-14-4-7(13)11-5-2-3-6(9)12-8(5)10/h2-3H,4H2,1H3,(H,11,13)
InChIKeyIXBBTKTXUDFYQH-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.66
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide

N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide (PubChem CID 103097765) has the molecular formula C8H8F2N2OS and a molecular weight of 218.23 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide
PubChem CID103097765
Molecular FormulaC8H8F2N2OS
Molecular Weight218.23 g/mol
Exact Mass218.03
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C8H8F2N2OS/c1-14-4-7(13)11-5-2-3-6(9)12-8(5)10/h2-3H,4H2,1H3,(H,11,13)
InChIKeyIXBBTKTXUDFYQH-UHFFFAOYSA-N
XLogP1.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.66
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 N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide (CID 103097765) is N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide?
The InChIKey is IXBBTKTXUDFYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2OS/c1-14-4-7(13)11-5-2-3-6(9)12-8(5)10/h2-3H,4H2,1H3,(H,11,13).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide?
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide has a molecular weight of 218.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 103097765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).