4-fluoro-2-(trifluoromethyl)pyridine-3-thiol

C6H3F4NS — CID 131171284

IUPAC4-fluoro-2-(trifluoromethyl)pyridine-3-thiol
SMILESFc1ccnc(C(F)(F)F)c1S
InChIInChI=1S/C6H3F4NS/c7-3-1-2-11-5(4(3)12)6(8,9)10/h1-2,12H
InChIKeyPEFMCIBMHWJLEU-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.53
Rot. Bonds

About 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol

4-fluoro-2-(trifluoromethyl)pyridine-3-thiol (PubChem CID 131171284) has the molecular formula C6H3F4NS and a molecular weight of 197.16 g/mol. Its IUPAC name is 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol.

Molecular Properties

Compound Name4-fluoro-2-(trifluoromethyl)pyridine-3-thiol
PubChem CID131171284
Molecular FormulaC6H3F4NS
Molecular Weight197.16 g/mol
Exact Mass196.99
IUPAC Name4-fluoro-2-(trifluoromethyl)pyridine-3-thiol
SMILESFc1ccnc(C(F)(F)F)c1S
InChIInChI=1S/C6H3F4NS/c7-3-1-2-11-5(4(3)12)6(8,9)10/h1-2,12H
InChIKeyPEFMCIBMHWJLEU-UHFFFAOYSA-N
XLogP2.53
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-fluoro-2-(trifluoromethyl)pyridine
CID 118704099
4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637886
2-bromo-4-fluoro-3-(trifluoromethyl)pyridine
CID 118704096
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 133090078
lithium;hydride;2-methoxy-4-(trifluoromethyl)pyridine-3-thiol
CID 171038538
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 15105945
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685
[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282988
3-bromo-6-fluoro-2-(trifluoromethyl)benzenethiol
CID 171008441
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-2-methylbutan-1-one
CID 142587135
4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118810505
4-ethenyl-3-methyl-2-(trifluoromethyl)pyridine
CID 67936792

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol?
The IUPAC name of 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol (CID 131171284) is 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol.
What is the SMILES notation for 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol?
The canonical SMILES for 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol is Fc1ccnc(C(F)(F)F)c1S.
What is the InChIKey of 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol?
The InChIKey is PEFMCIBMHWJLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NS/c7-3-1-2-11-5(4(3)12)6(8,9)10/h1-2,12H.
What are the key properties of 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol?
4-fluoro-2-(trifluoromethyl)pyridine-3-thiol has a molecular weight of 197.16 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(trifluoromethyl)pyridine-3-thiol is sourced from PubChem (CID 131171284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).