4-(3-bromophenyl)pyridine

C11H8BrN — CID 13150402

IUPAC4-(3-bromophenyl)pyridine
SMILESBrc1cccc(-c2ccncc2)c1
InChIInChI=1S/C11H8BrN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H
InChIKeyLCTYNEHIFPECNL-UHFFFAOYSA-N
MW234.10 g/mol
LogP3.51
Rot. Bonds1

About 4-(3-bromophenyl)pyridine

4-(3-bromophenyl)pyridine (PubChem CID 13150402) has the molecular formula C11H8BrN and a molecular weight of 234.10 g/mol. Its IUPAC name is 4-(3-bromophenyl)pyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)pyridine
PubChem CID13150402
Molecular FormulaC11H8BrN
Molecular Weight234.10 g/mol
Exact Mass232.98
IUPAC Name4-(3-bromophenyl)pyridine
SMILESBrc1cccc(-c2ccncc2)c1
InChIInChI=1S/C11H8BrN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H
InChIKeyLCTYNEHIFPECNL-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)pyridine?
The IUPAC name of 4-(3-bromophenyl)pyridine (CID 13150402) is 4-(3-bromophenyl)pyridine.
What is the SMILES notation for 4-(3-bromophenyl)pyridine?
The canonical SMILES for 4-(3-bromophenyl)pyridine is Brc1cccc(-c2ccncc2)c1.
What is the InChIKey of 4-(3-bromophenyl)pyridine?
The InChIKey is LCTYNEHIFPECNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H.
What are the key properties of 4-(3-bromophenyl)pyridine?
4-(3-bromophenyl)pyridine has a molecular weight of 234.10 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)pyridine is sourced from PubChem (CID 13150402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).