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

C9H10F2N2OS — CID 103097712

IUPACN-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H10F2N2OS/c1-15-5-4-8(14)12-6-2-3-7(10)13-9(6)11/h2-3H,4-5H2,1H3,(H,12,14)
InChIKeyGGXCAFXNZYKPBT-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.05
Rot. Bonds4

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

N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide (PubChem CID 103097712) has the molecular formula C9H10F2N2OS and a molecular weight of 232.25 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide
PubChem CID103097712
Molecular FormulaC9H10F2N2OS
Molecular Weight232.25 g/mol
Exact Mass232.05
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C9H10F2N2OS/c1-15-5-4-8(14)12-6-2-3-7(10)13-9(6)11/h2-3H,4-5H2,1H3,(H,12,14)
InChIKeyGGXCAFXNZYKPBT-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.05
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)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide (CID 103097712) is N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide?
The InChIKey is GGXCAFXNZYKPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2OS/c1-15-5-4-8(14)12-6-2-3-7(10)13-9(6)11/h2-3H,4-5H2,1H3,(H,12,14).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide?
N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide has a molecular weight of 232.25 g/mol, XLogP of 2.05, 4 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)-3-methylsulfanylpropanamide is sourced from PubChem (CID 103097712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).