2-bromo-4,5-diphenylpyridine

C17H12BrN — CID 118667529

IUPAC2-bromo-4,5-diphenylpyridine
SMILESBrc1cc(-c2ccccc2)c(-c2ccccc2)cn1
InChIInChI=1S/C17H12BrN/c18-17-11-15(13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-12H
InChIKeyGLHZOIWAMKBUOR-UHFFFAOYSA-N
MW310.19 g/mol
LogP5.18
Rot. Bonds2

About 2-bromo-4,5-diphenylpyridine

2-bromo-4,5-diphenylpyridine (PubChem CID 118667529) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-bromo-4,5-diphenylpyridine.

Molecular Properties

Compound Name2-bromo-4,5-diphenylpyridine
PubChem CID118667529
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name2-bromo-4,5-diphenylpyridine
SMILESBrc1cc(-c2ccccc2)c(-c2ccccc2)cn1
InChIInChI=1S/C17H12BrN/c18-17-11-15(13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-12H
InChIKeyGLHZOIWAMKBUOR-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

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-4,5-diphenylpyridine?
The IUPAC name of 2-bromo-4,5-diphenylpyridine (CID 118667529) is 2-bromo-4,5-diphenylpyridine.
What is the SMILES notation for 2-bromo-4,5-diphenylpyridine?
The canonical SMILES for 2-bromo-4,5-diphenylpyridine is Brc1cc(-c2ccccc2)c(-c2ccccc2)cn1.
What is the InChIKey of 2-bromo-4,5-diphenylpyridine?
The InChIKey is GLHZOIWAMKBUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN/c18-17-11-15(13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-bromo-4,5-diphenylpyridine?
2-bromo-4,5-diphenylpyridine 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 2-bromo-4,5-diphenylpyridine is sourced from PubChem (CID 118667529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).