5-bromo-2-(4-phenylphenyl)pyridine

C17H12BrN — CID 59156304

IUPAC5-bromo-2-(4-phenylphenyl)pyridine
SMILESBrc1ccc(-c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C17H12BrN/c18-16-10-11-17(19-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyKWYBUTIQLSOZAJ-UHFFFAOYSA-N
MW310.19 g/mol
LogP5.18
Rot. Bonds2

About 5-bromo-2-(4-phenylphenyl)pyridine

5-bromo-2-(4-phenylphenyl)pyridine (PubChem CID 59156304) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-2-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-phenylphenyl)pyridine
PubChem CID59156304
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name5-bromo-2-(4-phenylphenyl)pyridine
SMILESBrc1ccc(-c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C17H12BrN/c18-16-10-11-17(19-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyKWYBUTIQLSOZAJ-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.19
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-phenylphenyl)pyridine?
The IUPAC name of 5-bromo-2-(4-phenylphenyl)pyridine (CID 59156304) is 5-bromo-2-(4-phenylphenyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-phenylphenyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-phenylphenyl)pyridine is Brc1ccc(-c2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of 5-bromo-2-(4-phenylphenyl)pyridine?
The InChIKey is KWYBUTIQLSOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN/c18-16-10-11-17(19-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 5-bromo-2-(4-phenylphenyl)pyridine?
5-bromo-2-(4-phenylphenyl)pyridine has a molecular weight of 310.19 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-phenylphenyl)pyridine is sourced from PubChem (CID 59156304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).