5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione

C11H3F6NS — CID 133088665

IUPAC5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C11H3F6NS/c12-3-1-4(11(19)18-2-3)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H,(H,18,19)
InChIKeyIEVCMXWFWWNFRM-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.25
Rot. Bonds1

About 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione

5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione (PubChem CID 133088665) has the molecular formula C11H3F6NS and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione
PubChem CID133088665
Molecular FormulaC11H3F6NS
Molecular Weight295.21 g/mol
Exact Mass294.99
IUPAC Name5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C11H3F6NS/c12-3-1-4(11(19)18-2-3)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H,(H,18,19)
InChIKeyIEVCMXWFWWNFRM-UHFFFAOYSA-N
XLogP4.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-phenyl-1H-pyridine-2-thione
CID 46314837
3-fluoro-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione
CID 133088664
2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid
CID 133091347
3-(2,6-dichlorophenyl)-5-fluoro-1H-pyridin-2-one
CID 133092688
5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092539
1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 157170971
1,2,3,4,5,6,7-heptafluoro-8-(3,4,5,6,7,8-hexafluoronaphthalen-1-yl)naphthalene
CID 71326789
5-methyl-2-sulfanylidene-1H-pyridine-3-thiolate
CID 101385254
5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione
CID 106518328
4-fluoro-1H-pyridine-2-thione
CID 130643338
4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088605
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione?
The IUPAC name of 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione (CID 133088665) is 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione.
What is the SMILES notation for 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione?
The canonical SMILES for 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione is Fc1c[nH]c(=S)c(-c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione?
The InChIKey is IEVCMXWFWWNFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F6NS/c12-3-1-4(11(19)18-2-3)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H,(H,18,19).
What are the key properties of 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione?
5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione has a molecular weight of 295.21 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-2-thione is sourced from PubChem (CID 133088665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).