2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine

C25H23F2NS2 — CID 56642307

IUPAC2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(-c3ccnc(-c4ccc(F)cc4F)c3)s2)s1
InChIInChI=1S/C25H23F2NS2/c1-2-3-4-5-6-19-8-10-24(29-19)25-12-11-23(30-25)17-13-14-28-22(15-17)20-9-7-18(26)16-21(20)27/h7-16H,2-6H2,1H3
InChIKeyJHQBZYLXACMZJG-UHFFFAOYSA-N
MW439.60 g/mol
LogP8.61
Rot. Bonds8

About 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine

2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine (PubChem CID 56642307) has the molecular formula C25H23F2NS2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine
PubChem CID56642307
Molecular FormulaC25H23F2NS2
Molecular Weight439.60 g/mol
Exact Mass439.12
IUPAC Name2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(-c3ccnc(-c4ccc(F)cc4F)c3)s2)s1
InChIInChI=1S/C25H23F2NS2/c1-2-3-4-5-6-19-8-10-24(29-19)25-12-11-23(30-25)17-13-14-28-22(15-17)20-9-7-18(26)16-21(20)27/h7-16H,2-6H2,1H3
InChIKeyJHQBZYLXACMZJG-UHFFFAOYSA-N
XLogP8.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine (CID 56642307) is 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine is CCCCCCc1ccc(-c2ccc(-c3ccnc(-c4ccc(F)cc4F)c3)s2)s1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine?
The InChIKey is JHQBZYLXACMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NS2/c1-2-3-4-5-6-19-8-10-24(29-19)25-12-11-23(30-25)17-13-14-28-22(15-17)20-9-7-18(26)16-21(20)27/h7-16H,2-6H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine?
2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine has a molecular weight of 439.60 g/mol, XLogP of 8.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]pyridine is sourced from PubChem (CID 56642307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).