2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide

C9H9F3N2O2S — CID 79877386

IUPAC2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(C(F)(F)F)nc1OCCO
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)6-2-1-5(7(13)17)8(14-6)16-4-3-15/h1-2,15H,3-4H2,(H2,13,17)
InChIKeyVEITYNZISVKXGN-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.11
Rot. Bonds4

About 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide

2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide (PubChem CID 79877386) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
PubChem CID79877386
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(C(F)(F)F)nc1OCCO
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)6-2-1-5(7(13)17)8(14-6)16-4-3-15/h1-2,15H,3-4H2,(H2,13,17)
InChIKeyVEITYNZISVKXGN-UHFFFAOYSA-N
XLogP1.11
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide?
The IUPAC name of 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide (CID 79877386) is 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide?
The canonical SMILES for 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide is NC(=S)c1ccc(C(F)(F)F)nc1OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide?
The InChIKey is VEITYNZISVKXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)6-2-1-5(7(13)17)8(14-6)16-4-3-15/h1-2,15H,3-4H2,(H2,13,17).
What are the key properties of 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide?
2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide has a molecular weight of 266.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide is sourced from PubChem (CID 79877386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).