6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione

C15H9F3N2S — CID 106513733

IUPAC6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2cnc3ccccc3c2)[nH]c(=S)c1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)11-6-13(20-14(21)7-11)10-5-9-3-1-2-4-12(9)19-8-10/h1-8H,(H,20,21)
InChIKeyOCWDBSZECSKSMT-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.98
Rot. Bonds1

About 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione

6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 106513733) has the molecular formula C15H9F3N2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID106513733
Molecular FormulaC15H9F3N2S
Molecular Weight306.31 g/mol
Exact Mass306.04
IUPAC Name6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2cnc3ccccc3c2)[nH]c(=S)c1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)11-6-13(20-14(21)7-11)10-5-9-3-1-2-4-12(9)19-8-10/h1-8H,(H,20,21)
InChIKeyOCWDBSZECSKSMT-UHFFFAOYSA-N
XLogP4.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.98
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

3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516388
7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
CID 170295226
3-(1H-pyrazol-5-yl)quinoline
CID 22660698
6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106523086
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106514338
3-anthracen-9-ylquinoline
CID 170654314
3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 154466638

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 106513733) is 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione is FC(F)(F)c1cc(-c2cnc3ccccc3c2)[nH]c(=S)c1.
What is the InChIKey of 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is OCWDBSZECSKSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2S/c16-15(17,18)11-6-13(20-14(21)7-11)10-5-9-3-1-2-4-12(9)19-8-10/h1-8H,(H,20,21).
What are the key properties of 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 306.31 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-3-yl-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106513733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).