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

C17H12BrN — CID 138597174

IUPAC2-bromo-4-(4-phenylphenyl)pyridine
SMILESBrc1cc(-c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C17H12BrN/c18-17-12-16(10-11-19-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyOXKDSYPVQGKTBD-UHFFFAOYSA-N
MW310.19 g/mol
LogP5.18
Rot. Bonds2

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

2-bromo-4-(4-phenylphenyl)pyridine (PubChem CID 138597174) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-bromo-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(4-phenylphenyl)pyridine
PubChem CID138597174
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name2-bromo-4-(4-phenylphenyl)pyridine
SMILESBrc1cc(-c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C17H12BrN/c18-17-12-16(10-11-19-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyOXKDSYPVQGKTBD-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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Related Compounds

2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
CID 10841592
2-bromo-4-(4-propan-2-ylphenyl)pyridine
CID 83744883
1,1'-biphenyl;2-bromopyridine
CID 175532742
[4-(4-phenylphenyl)-2-pyridinyl]boronic acid
CID 141281762
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole
CID 23435665
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
2-bromo-4-(2,4,6-trimethylphenyl)pyridine
CID 168984492

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2-bromo-4-(4-phenylphenyl)pyridine (CID 138597174) is 2-bromo-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-bromo-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-bromo-4-(4-phenylphenyl)pyridine is Brc1cc(-c2ccc(-c3ccccc3)cc2)ccn1.
What is the InChIKey of 2-bromo-4-(4-phenylphenyl)pyridine?
The InChIKey is OXKDSYPVQGKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN/c18-17-12-16(10-11-19-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 2-bromo-4-(4-phenylphenyl)pyridine?
2-bromo-4-(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 2-bromo-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 138597174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).