2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione

C11H6F3NS — CID 106520198

IUPAC2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione
SMILESFc1cc(F)c(-c2cc(=S)cc[nH]2)cc1F
InChIInChI=1S/C11H6F3NS/c12-8-5-10(14)9(13)4-7(8)11-3-6(16)1-2-15-11/h1-5H,(H,15,16)
InChIKeySHKBOQWMHSUANH-UHFFFAOYSA-N
MW241.24 g/mol
LogP3.83
Rot. Bonds1

About 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione

2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione (PubChem CID 106520198) has the molecular formula C11H6F3NS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione
PubChem CID106520198
Molecular FormulaC11H6F3NS
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione
SMILESFc1cc(F)c(-c2cc(=S)cc[nH]2)cc1F
InChIInChI=1S/C11H6F3NS/c12-8-5-10(14)9(13)4-7(8)11-3-6(16)1-2-15-11/h1-5H,(H,15,16)
InChIKeySHKBOQWMHSUANH-UHFFFAOYSA-N
XLogP3.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione
CID 106520915
2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione
CID 106521614
2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione
CID 106523088
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
CID 58769561
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)-1H-pyridine-2-thione
CID 106520196
4-(2,4,5-trifluorophenyl)-1H-pyridazine-6-thione
CID 106520230
5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile
CID 106516111
4-fluoro-1H-pyridine-2-thione
CID 130643338
2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione
CID 106516047
2-(3-propylphenyl)-1H-pyridine-4-thione
CID 106522006
2-quinolin-7-yl-1H-pyridine-4-thione
CID 106519741
2-tert-butyl-1H-pyridine-4-thione
CID 123650707

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione?
The IUPAC name of 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione (CID 106520198) is 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione.
What is the SMILES notation for 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione?
The canonical SMILES for 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione is Fc1cc(F)c(-c2cc(=S)cc[nH]2)cc1F.
What is the InChIKey of 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione?
The InChIKey is SHKBOQWMHSUANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NS/c12-8-5-10(14)9(13)4-7(8)11-3-6(16)1-2-15-11/h1-5H,(H,15,16).
What are the key properties of 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione?
2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione has a molecular weight of 241.24 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione is sourced from PubChem (CID 106520198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).