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

C6H3F4NS — CID 130868547

IUPAC6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFc1[nH]c(=S)ccc1C(F)(F)F
InChIInChI=1S/C6H3F4NS/c7-5-3(6(8,9)10)1-2-4(12)11-5/h1-2H,(H,11,12)
InChIKeyIYQUWKVJQBIAEQ-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.90
Rot. Bonds

About 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione

6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 130868547) has the molecular formula C6H3F4NS and a molecular weight of 197.16 g/mol. Its IUPAC name is 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID130868547
Molecular FormulaC6H3F4NS
Molecular Weight197.16 g/mol
Exact Mass196.99
IUPAC Name6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFc1[nH]c(=S)ccc1C(F)(F)F
InChIInChI=1S/C6H3F4NS/c7-5-3(6(8,9)10)1-2-4(12)11-5/h1-2H,(H,11,12)
InChIKeyIYQUWKVJQBIAEQ-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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Related Compounds

3,6-difluoro-5-methyl-1H-pyridine-2-thione
CID 172429175
6-Mercapto-2-methyl-3-(trifluoromethyl)pyridine
CID 97617220
4,6-bis(trifluoromethyl)-1H-pyridine-2-thione
CID 132115378
6-amino-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 119002305
6-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 130968372
4-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 130971521
6-fluoro-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 131073305
6-bromo-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 131114054
4,5-bis(trifluoromethyl)-1H-pyridine-2-thione
CID 131845687
5,6-bis(trifluoromethyl)-1H-pyridine-2-thione
CID 133094700

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione (CID 130868547) is 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione is Fc1[nH]c(=S)ccc1C(F)(F)F.
What is the InChIKey of 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is IYQUWKVJQBIAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NS/c7-5-3(6(8,9)10)1-2-4(12)11-5/h1-2H,(H,11,12).
What are the key properties of 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione?
6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-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 6-fluoro-5-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 130868547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).