2-(3-bromo-5-fluorophenyl)-4-phenylpyridine

C17H11BrFN — CID 140898228

IUPAC2-(3-bromo-5-fluorophenyl)-4-phenylpyridine
SMILESFc1cc(Br)cc(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C17H11BrFN/c18-15-8-14(9-16(19)11-15)17-10-13(6-7-20-17)12-4-2-1-3-5-12/h1-11H
InChIKeyFUZUJYDCZNKIFV-UHFFFAOYSA-N
MW328.18 g/mol
LogP5.32
Rot. Bonds2

About 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine

2-(3-bromo-5-fluorophenyl)-4-phenylpyridine (PubChem CID 140898228) has the molecular formula C17H11BrFN and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-4-phenylpyridine
PubChem CID140898228
Molecular FormulaC17H11BrFN
Molecular Weight328.18 g/mol
Exact Mass327.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-4-phenylpyridine
SMILESFc1cc(Br)cc(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C17H11BrFN/c18-15-8-14(9-16(19)11-15)17-10-13(6-7-20-17)12-4-2-1-3-5-12/h1-11H
InChIKeyFUZUJYDCZNKIFV-UHFFFAOYSA-N
XLogP5.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.18
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine (CID 140898228) is 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine is Fc1cc(Br)cc(-c2cc(-c3ccccc3)ccn2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine?
The InChIKey is FUZUJYDCZNKIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN/c18-15-8-14(9-16(19)11-15)17-10-13(6-7-20-17)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine?
2-(3-bromo-5-fluorophenyl)-4-phenylpyridine has a molecular weight of 328.18 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-4-phenylpyridine is sourced from PubChem (CID 140898228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).