5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine

C8H5ClFN3S — CID 103738609

IUPAC5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESFc1cc(Cl)cnc1Sc1ncc[nH]1
InChIInChI=1S/C8H5ClFN3S/c9-5-3-6(10)7(13-4-5)14-8-11-1-2-12-8/h1-4H,(H,11,12)
InChIKeyNUBYMFBUPGRFPH-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.75
Rot. Bonds2

About 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine

5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine (PubChem CID 103738609) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine
PubChem CID103738609
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine
SMILESFc1cc(Cl)cnc1Sc1ncc[nH]1
InChIInChI=1S/C8H5ClFN3S/c9-5-3-6(10)7(13-4-5)14-8-11-1-2-12-8/h1-4H,(H,11,12)
InChIKeyNUBYMFBUPGRFPH-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine (CID 103738609) is 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine is Fc1cc(Cl)cnc1Sc1ncc[nH]1.
What is the InChIKey of 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine?
The InChIKey is NUBYMFBUPGRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c9-5-3-6(10)7(13-4-5)14-8-11-1-2-12-8/h1-4H,(H,11,12).
What are the key properties of 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine?
5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine has a molecular weight of 229.67 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(1H-imidazol-2-ylsulfanyl)pyridine is sourced from PubChem (CID 103738609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).