6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione

C15H12F3NOS — CID 106522136

IUPAC6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2ccc(OC3CC3)cc2)[nH]c(=S)c1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)10-7-13(19-14(21)8-10)9-1-3-11(4-2-9)20-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,19,21)
InChIKeyHJNBLUMDOMYVLD-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.97
Rot. Bonds3

About 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione

6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 106522136) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID106522136
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2ccc(OC3CC3)cc2)[nH]c(=S)c1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)10-7-13(19-14(21)8-10)9-1-3-11(4-2-9)20-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,19,21)
InChIKeyHJNBLUMDOMYVLD-UHFFFAOYSA-N
XLogP4.97
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516388
6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106514338
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716909
6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516835
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
4-(4-cyclopentyloxyphenyl)-3H-1,3-thiazole-2-thione
CID 82307143
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106517874
4-(trifluoromethyl)-6-(2,3,4-trifluorophenyl)-1H-pyridine-2-thione
CID 106517660
4-[4-(trifluoromethyl)phenoxy]azepane
CID 63904061
6-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-thione
CID 106514641

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 106522136) is 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione is FC(F)(F)c1cc(-c2ccc(OC3CC3)cc2)[nH]c(=S)c1.
What is the InChIKey of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is HJNBLUMDOMYVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c16-15(17,18)10-7-13(19-14(21)8-10)9-1-3-11(4-2-9)20-12-5-6-12/h1-4,7-8,12H,5-6H2,(H,19,21).
What are the key properties of 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 311.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106522136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).