2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine

C18H20FNOS — CID 130229384

IUPAC2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine
SMILESCOc1ccc(CSc2ccc(C3(F)CCCC3)nc2)cc1
InChIInChI=1S/C18H20FNOS/c1-21-15-6-4-14(5-7-15)13-22-16-8-9-17(20-12-16)18(19)10-2-3-11-18/h4-9,12H,2-3,10-11,13H2,1H3
InChIKeyFUYKDEIFKBWDAE-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.12
Rot. Bonds5

About 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine

2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine (PubChem CID 130229384) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine
PubChem CID130229384
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine
SMILESCOc1ccc(CSc2ccc(C3(F)CCCC3)nc2)cc1
InChIInChI=1S/C18H20FNOS/c1-21-15-6-4-14(5-7-15)13-22-16-8-9-17(20-12-16)18(19)10-2-3-11-18/h4-9,12H,2-3,10-11,13H2,1H3
InChIKeyFUYKDEIFKBWDAE-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine?
The IUPAC name of 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine (CID 130229384) is 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine?
The canonical SMILES for 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine is COc1ccc(CSc2ccc(C3(F)CCCC3)nc2)cc1.
What is the InChIKey of 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine?
The InChIKey is FUYKDEIFKBWDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-21-15-6-4-14(5-7-15)13-22-16-8-9-17(20-12-16)18(19)10-2-3-11-18/h4-9,12H,2-3,10-11,13H2,1H3.
What are the key properties of 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine?
2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine has a molecular weight of 317.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopentyl)-5-[(4-methoxyphenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 130229384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).