2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione

C6H3F4NS — CID 131168184

IUPAC2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione
SMILESFc1cc(=S)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C6H3F4NS/c7-5-1-4(12)3(2-11-5)6(8,9)10/h1-2H,(H,11,12)
InChIKeyNVZFFRWEOVYOEB-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.90
Rot. Bonds

About 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione

2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione (PubChem CID 131168184) has the molecular formula C6H3F4NS and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione
PubChem CID131168184
Molecular FormulaC6H3F4NS
Molecular Weight197.16 g/mol
Exact Mass196.99
IUPAC Name2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione
SMILESFc1cc(=S)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C6H3F4NS/c7-5-1-4(12)3(2-11-5)6(8,9)10/h1-2H,(H,11,12)
InChIKeyNVZFFRWEOVYOEB-UHFFFAOYSA-N
XLogP2.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione?
The IUPAC name of 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione (CID 131168184) is 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione.
What is the SMILES notation for 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione?
The canonical SMILES for 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione is Fc1cc(=S)c(C(F)(F)F)c[nH]1.
What is the InChIKey of 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione?
The InChIKey is NVZFFRWEOVYOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NS/c7-5-1-4(12)3(2-11-5)6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione?
2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione has a molecular weight of 197.16 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione is sourced from PubChem (CID 131168184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).