5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine

C16H11FN2S — CID 59001821

IUPAC5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine
SMILESFc1ccc(Sc2ccc(-c3ccncc3)nc2)cc1
InChIInChI=1S/C16H11FN2S/c17-13-1-3-14(4-2-13)20-15-5-6-16(19-11-15)12-7-9-18-10-8-12/h1-11H
InChIKeyPMMPJUVYFAKLGC-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.43
Rot. Bonds3

About 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine

5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine (PubChem CID 59001821) has the molecular formula C16H11FN2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine
PubChem CID59001821
Molecular FormulaC16H11FN2S
Molecular Weight282.34 g/mol
Exact Mass282.06
IUPAC Name5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine
SMILESFc1ccc(Sc2ccc(-c3ccncc3)nc2)cc1
InChIInChI=1S/C16H11FN2S/c17-13-1-3-14(4-2-13)20-15-5-6-16(19-11-15)12-7-9-18-10-8-12/h1-11H
InChIKeyPMMPJUVYFAKLGC-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine (CID 59001821) is 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine is Fc1ccc(Sc2ccc(-c3ccncc3)nc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine?
The InChIKey is PMMPJUVYFAKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2S/c17-13-1-3-14(4-2-13)20-15-5-6-16(19-11-15)12-7-9-18-10-8-12/h1-11H.
What are the key properties of 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine?
5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine has a molecular weight of 282.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-2-pyridin-4-ylpyridine is sourced from PubChem (CID 59001821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).