2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine

C21H14F2N2S2 — CID 149347269

IUPAC2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine
SMILESFc1ccc(Sc2ccc(Sc3ccc(F)cc3)n2-c2ccccn2)cc1
InChIInChI=1S/C21H14F2N2S2/c22-15-4-8-17(9-5-15)26-20-12-13-21(25(20)19-3-1-2-14-24-19)27-18-10-6-16(23)7-11-18/h1-14H
InChIKeyYFHVURUJEMDTTR-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.45
Rot. Bonds5

About 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine

2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine (PubChem CID 149347269) has the molecular formula C21H14F2N2S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine
PubChem CID149347269
Molecular FormulaC21H14F2N2S2
Molecular Weight396.49 g/mol
Exact Mass396.06
IUPAC Name2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine
SMILESFc1ccc(Sc2ccc(Sc3ccc(F)cc3)n2-c2ccccn2)cc1
InChIInChI=1S/C21H14F2N2S2/c22-15-4-8-17(9-5-15)26-20-12-13-21(25(20)19-3-1-2-14-24-19)27-18-10-6-16(23)7-11-18/h1-14H
InChIKeyYFHVURUJEMDTTR-UHFFFAOYSA-N
XLogP6.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine?
The IUPAC name of 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine (CID 149347269) is 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine?
The canonical SMILES for 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine is Fc1ccc(Sc2ccc(Sc3ccc(F)cc3)n2-c2ccccn2)cc1.
What is the InChIKey of 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine?
The InChIKey is YFHVURUJEMDTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2S2/c22-15-4-8-17(9-5-15)26-20-12-13-21(25(20)19-3-1-2-14-24-19)27-18-10-6-16(23)7-11-18/h1-14H.
What are the key properties of 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine?
2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine has a molecular weight of 396.49 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis[(4-fluorophenyl)sulfanyl]pyrrol-1-yl]pyridine is sourced from PubChem (CID 149347269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).