2-(4-bromophenyl)-6-phenylpyridine

C17H12BrN — CID 10018239

IUPAC2-(4-bromophenyl)-6-phenylpyridine
SMILESBrc1ccc(-c2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H12BrN/c18-15-11-9-14(10-12-15)17-8-4-7-16(19-17)13-5-2-1-3-6-13/h1-12H
InChIKeyQTBMSDFSDOUINA-UHFFFAOYSA-N
MW310.19 g/mol
LogP5.18
Rot. Bonds2

About 2-(4-bromophenyl)-6-phenylpyridine

2-(4-bromophenyl)-6-phenylpyridine (PubChem CID 10018239) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-phenylpyridine
PubChem CID10018239
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name2-(4-bromophenyl)-6-phenylpyridine
SMILESBrc1ccc(-c2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H12BrN/c18-15-11-9-14(10-12-15)17-8-4-7-16(19-17)13-5-2-1-3-6-13/h1-12H
InChIKeyQTBMSDFSDOUINA-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 2-(4-bromophenyl)-6-phenylpyridine?
The IUPAC name of 2-(4-bromophenyl)-6-phenylpyridine (CID 10018239) is 2-(4-bromophenyl)-6-phenylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-6-phenylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-6-phenylpyridine is Brc1ccc(-c2cccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-phenylpyridine?
The InChIKey is QTBMSDFSDOUINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN/c18-15-11-9-14(10-12-15)17-8-4-7-16(19-17)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 2-(4-bromophenyl)-6-phenylpyridine?
2-(4-bromophenyl)-6-phenylpyridine 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-(4-bromophenyl)-6-phenylpyridine is sourced from PubChem (CID 10018239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).