6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione

C12H6F5NS — CID 106518206

IUPAC6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFc1cccc(-c2cc(C(F)(F)F)cc(=S)[nH]2)c1F
InChIInChI=1S/C12H6F5NS/c13-8-3-1-2-7(11(8)14)9-4-6(12(15,16)17)5-10(19)18-9/h1-5H,(H,18,19)
InChIKeyRZSXLUBRFILWID-UHFFFAOYSA-N
MW291.24 g/mol
LogP4.71
Rot. Bonds1

About 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione

6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 106518206) has the molecular formula C12H6F5NS and a molecular weight of 291.24 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID106518206
Molecular FormulaC12H6F5NS
Molecular Weight291.24 g/mol
Exact Mass291.01
IUPAC Name6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFc1cccc(-c2cc(C(F)(F)F)cc(=S)[nH]2)c1F
InChIInChI=1S/C12H6F5NS/c13-8-3-1-2-7(11(8)14)9-4-6(12(15,16)17)5-10(19)18-9/h1-5H,(H,18,19)
InChIKeyRZSXLUBRFILWID-UHFFFAOYSA-N
XLogP4.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(trifluoromethyl)-6-(2,3,4-trifluorophenyl)-1H-pyridine-2-thione
CID 106517660
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)-1H-pyridine-2-thione
CID 106520196
6-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106520913
6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106523086
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516835
6-(2,3-difluorophenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106518199
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516388
6-(7-chloro-1-benzofuran-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106521939
6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106513733
6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106514338
6-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-thione
CID 106514641

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 106518206) is 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione is Fc1cccc(-c2cc(C(F)(F)F)cc(=S)[nH]2)c1F.
What is the InChIKey of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is RZSXLUBRFILWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NS/c13-8-3-1-2-7(11(8)14)9-4-6(12(15,16)17)5-10(19)18-9/h1-5H,(H,18,19).
What are the key properties of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 291.24 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106518206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).