2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine

C8H6FN3S — CID 107780757

IUPAC2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESFc1cccc(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H6FN3S/c9-6-2-1-3-7(12-6)13-8-10-4-5-11-8/h1-5H,(H,10,11)
InChIKeyLVIXHVQBMYDGKE-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.10
Rot. Bonds2

About 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine

2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine (PubChem CID 107780757) has the molecular formula C8H6FN3S and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine
PubChem CID107780757
Molecular FormulaC8H6FN3S
Molecular Weight195.22 g/mol
Exact Mass195.03
IUPAC Name2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESFc1cccc(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H6FN3S/c9-6-2-1-3-7(12-6)13-8-10-4-5-11-8/h1-5H,(H,10,11)
InChIKeyLVIXHVQBMYDGKE-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
The IUPAC name of 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine (CID 107780757) is 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
The canonical SMILES for 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine is Fc1cccc(Sc2ncc[nH]2)n1.
What is the InChIKey of 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
The InChIKey is LVIXHVQBMYDGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S/c9-6-2-1-3-7(12-6)13-8-10-4-5-11-8/h1-5H,(H,10,11).
What are the key properties of 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine?
2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine has a molecular weight of 195.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1H-imidazol-2-ylsulfanyl)pyridine is sourced from PubChem (CID 107780757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).