2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine

C23H17BrFN3 — CID 87578774

IUPAC2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccc(Br)n2)(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H17BrFN3/c24-22-7-1-6-21(28-22)14-23(18-4-2-12-26-15-18,19-5-3-13-27-16-19)17-8-10-20(25)11-9-17/h1-13,15-16H,14H2
InChIKeySDBYBWJXQKKJSC-UHFFFAOYSA-N
MW434.31 g/mol
LogP5.35
Rot. Bonds5

About 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine

2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine (PubChem CID 87578774) has the molecular formula C23H17BrFN3 and a molecular weight of 434.31 g/mol. Its IUPAC name is 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine
PubChem CID87578774
Molecular FormulaC23H17BrFN3
Molecular Weight434.31 g/mol
Exact Mass433.06
IUPAC Name2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine
SMILESFc1ccc(C(Cc2cccc(Br)n2)(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C23H17BrFN3/c24-22-7-1-6-21(28-22)14-23(18-4-2-12-26-15-18,19-5-3-13-27-16-19)17-8-10-20(25)11-9-17/h1-13,15-16H,14H2
InChIKeySDBYBWJXQKKJSC-UHFFFAOYSA-N
XLogP5.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.31
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
The IUPAC name of 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine (CID 87578774) is 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine.
What is the SMILES notation for 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
The canonical SMILES for 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine is Fc1ccc(C(Cc2cccc(Br)n2)(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
The InChIKey is SDBYBWJXQKKJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN3/c24-22-7-1-6-21(28-22)14-23(18-4-2-12-26-15-18,19-5-3-13-27-16-19)17-8-10-20(25)11-9-17/h1-13,15-16H,14H2.
What are the key properties of 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine?
2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine has a molecular weight of 434.31 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridine is sourced from PubChem (CID 87578774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).