2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine

C23H21F2NS2 — CID 66717086

IUPAC2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine
SMILESCCCCCCc1cc2cc(-c3ccnc(-c4ccc(F)cc4F)c3)sc2s1
InChIInChI=1S/C23H21F2NS2/c1-2-3-4-5-6-18-11-16-13-22(28-23(16)27-18)15-9-10-26-21(12-15)19-8-7-17(24)14-20(19)25/h7-14H,2-6H2,1H3
InChIKeyBTMDZFHERLQTFD-UHFFFAOYSA-N
MW413.56 g/mol
LogP8.09
Rot. Bonds7

About 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine

2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine (PubChem CID 66717086) has the molecular formula C23H21F2NS2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine
PubChem CID66717086
Molecular FormulaC23H21F2NS2
Molecular Weight413.56 g/mol
Exact Mass413.11
IUPAC Name2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine
SMILESCCCCCCc1cc2cc(-c3ccnc(-c4ccc(F)cc4F)c3)sc2s1
InChIInChI=1S/C23H21F2NS2/c1-2-3-4-5-6-18-11-16-13-22(28-23(16)27-18)15-9-10-26-21(12-15)19-8-7-17(24)14-20(19)25/h7-14H,2-6H2,1H3
InChIKeyBTMDZFHERLQTFD-UHFFFAOYSA-N
XLogP8.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.09
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-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine (CID 66717086) is 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine is CCCCCCc1cc2cc(-c3ccnc(-c4ccc(F)cc4F)c3)sc2s1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine?
The InChIKey is BTMDZFHERLQTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NS2/c1-2-3-4-5-6-18-11-16-13-22(28-23(16)27-18)15-9-10-26-21(12-15)19-8-7-17(24)14-20(19)25/h7-14H,2-6H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine?
2-(2,4-difluorophenyl)-4-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine has a molecular weight of 413.56 g/mol, XLogP of 8.09, 7 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-(2-hexylthieno[2,3-b]thiophen-5-yl)pyridine is sourced from PubChem (CID 66717086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).