3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione

C6H4F3NOS — CID 125129556

IUPAC3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione
SMILESOc1ccc(C(F)(F)F)[nH]c1=S
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4-2-1-3(11)5(12)10-4/h1-2,11H,(H,10,12)
InChIKeyVZJVCOSEJPDZQI-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.47
Rot. Bonds

About 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione

3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 125129556) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID125129556
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione
SMILESOc1ccc(C(F)(F)F)[nH]c1=S
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4-2-1-3(11)5(12)10-4/h1-2,11H,(H,10,12)
InChIKeyVZJVCOSEJPDZQI-UHFFFAOYSA-N
XLogP2.47
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione (CID 125129556) is 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione is Oc1ccc(C(F)(F)F)[nH]c1=S.
What is the InChIKey of 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is VZJVCOSEJPDZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)4-2-1-3(11)5(12)10-4/h1-2,11H,(H,10,12).
What are the key properties of 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione?
3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 195.16 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 125129556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).