1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione

C8H6F3N3S — CID 79296543

IUPAC1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESFC(F)(F)Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)4-14-6-1-2-12-3-5(6)13-7(14)15/h1-3H,4H2,(H,13,15)
InChIKeyDFUFCIUNGUNJAP-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.66
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione

1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296543) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296543
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESFC(F)(F)Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)4-14-6-1-2-12-3-5(6)13-7(14)15/h1-3H,4H2,(H,13,15)
InChIKeyDFUFCIUNGUNJAP-UHFFFAOYSA-N
XLogP2.66
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296543) is 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione is FC(F)(F)Cn1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is DFUFCIUNGUNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c9-8(10,11)4-14-6-1-2-12-3-5(6)13-7(14)15/h1-3H,4H2,(H,13,15).
What are the key properties of 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 233.22 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).