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

C8H7F2N3S — CID 130597289

IUPAC3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione
SMILESFC(F)Cn1c(=S)[nH]c2ccncc21
InChIInChI=1S/C8H7F2N3S/c9-7(10)4-13-6-3-11-2-1-5(6)12-8(13)14/h1-3,7H,4H2,(H,12,14)
InChIKeyUBZCDOCQBFHBPG-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.36
Rot. Bonds2

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

3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 130597289) has the molecular formula C8H7F2N3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione
PubChem CID130597289
Molecular FormulaC8H7F2N3S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione
SMILESFC(F)Cn1c(=S)[nH]c2ccncc21
InChIInChI=1S/C8H7F2N3S/c9-7(10)4-13-6-3-11-2-1-5(6)12-8(13)14/h1-3,7H,4H2,(H,12,14)
InChIKeyUBZCDOCQBFHBPG-UHFFFAOYSA-N
XLogP2.36
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.36
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 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione (CID 130597289) is 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione is FC(F)Cn1c(=S)[nH]c2ccncc21.
What is the InChIKey of 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is UBZCDOCQBFHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3S/c9-7(10)4-13-6-3-11-2-1-5(6)12-8(13)14/h1-3,7H,4H2,(H,12,14).
What are the key properties of 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione?
3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 215.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 130597289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).