4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide

C9H9F3N2O2S — CID 103337216

IUPAC4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCSC(F)(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)17-4-3-14-8(16)6-5-13-2-1-7(6)15/h1-2,5H,3-4H2,(H,13,15)(H,14,16)
InChIKeyUYZMISOTGOBMMX-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.36
Rot. Bonds4

About 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide

4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 103337216) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID103337216
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCSC(F)(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)17-4-3-14-8(16)6-5-13-2-1-7(6)15/h1-2,5H,3-4H2,(H,13,15)(H,14,16)
InChIKeyUYZMISOTGOBMMX-UHFFFAOYSA-N
XLogP1.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide (CID 103337216) is 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCSC(F)(F)F)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is UYZMISOTGOBMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)17-4-3-14-8(16)6-5-13-2-1-7(6)15/h1-2,5H,3-4H2,(H,13,15)(H,14,16).
What are the key properties of 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide?
4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).