6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione

C10H7F3N2S — CID 106523086

IUPAC6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2ccc[nH]2)[nH]c(=S)c1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)6-4-8(15-9(16)5-6)7-2-1-3-14-7/h1-5,14H,(H,15,16)
InChIKeyBLPPWVFRCJQRHE-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.76
Rot. Bonds1

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

6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 106523086) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID106523086
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2ccc[nH]2)[nH]c(=S)c1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)6-4-8(15-9(16)5-6)7-2-1-3-14-7/h1-5,14H,(H,15,16)
InChIKeyBLPPWVFRCJQRHE-UHFFFAOYSA-N
XLogP3.76
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106518206
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)-1H-pyridine-2-thione
CID 106520196
4-(trifluoromethyl)-6-(2,3,4-trifluorophenyl)-1H-pyridine-2-thione
CID 106517660
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516388
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-(7-chloro-1-benzofuran-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106521939
2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
CID 163645607
6-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-thione
CID 106514641
6-(2,5-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516835
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106522136
6-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106520913

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 106523086) is 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione is FC(F)(F)c1cc(-c2ccc[nH]2)[nH]c(=S)c1.
What is the InChIKey of 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is BLPPWVFRCJQRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-10(12,13)6-4-8(15-9(16)5-6)7-2-1-3-14-7/h1-5,14H,(H,15,16).
What are the key properties of 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 244.24 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106523086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).