5-fluoro-3-phenyl-1H-pyridine-2-thione

C11H8FNS — CID 46314837

IUPAC5-fluoro-3-phenyl-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)c(-c2ccccc2)c1
InChIInChI=1S/C11H8FNS/c12-9-6-10(11(14)13-7-9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeyKUXPEVADNKDHIP-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.55
Rot. Bonds1

About 5-fluoro-3-phenyl-1H-pyridine-2-thione

5-fluoro-3-phenyl-1H-pyridine-2-thione (PubChem CID 46314837) has the molecular formula C11H8FNS and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-fluoro-3-phenyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-fluoro-3-phenyl-1H-pyridine-2-thione
PubChem CID46314837
Molecular FormulaC11H8FNS
Molecular Weight205.26 g/mol
Exact Mass205.04
IUPAC Name5-fluoro-3-phenyl-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)c(-c2ccccc2)c1
InChIInChI=1S/C11H8FNS/c12-9-6-10(11(14)13-7-9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeyKUXPEVADNKDHIP-UHFFFAOYSA-N
XLogP3.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-fluoro-3-phenyl-1H-pyridine-2-thione?
The IUPAC name of 5-fluoro-3-phenyl-1H-pyridine-2-thione (CID 46314837) is 5-fluoro-3-phenyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-fluoro-3-phenyl-1H-pyridine-2-thione?
The canonical SMILES for 5-fluoro-3-phenyl-1H-pyridine-2-thione is Fc1c[nH]c(=S)c(-c2ccccc2)c1.
What is the InChIKey of 5-fluoro-3-phenyl-1H-pyridine-2-thione?
The InChIKey is KUXPEVADNKDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNS/c12-9-6-10(11(14)13-7-9)8-4-2-1-3-5-8/h1-7H,(H,13,14).
What are the key properties of 5-fluoro-3-phenyl-1H-pyridine-2-thione?
5-fluoro-3-phenyl-1H-pyridine-2-thione has a molecular weight of 205.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-phenyl-1H-pyridine-2-thione is sourced from PubChem (CID 46314837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).