2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine

C22H22BrN — CID 3126211

IUPAC2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C22H22BrN/c1-2-3-4-5-17-6-8-18(9-7-17)20-12-15-22(24-16-20)19-10-13-21(23)14-11-19/h6-16H,2-5H2,1H3
InChIKeyPYOMYMAKEFJRPC-UHFFFAOYSA-N
MW380.33 g/mol
LogP6.91
Rot. Bonds6

About 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine

2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine (PubChem CID 3126211) has the molecular formula C22H22BrN and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine
PubChem CID3126211
Molecular FormulaC22H22BrN
Molecular Weight380.33 g/mol
Exact Mass379.09
IUPAC Name2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C22H22BrN/c1-2-3-4-5-17-6-8-18(9-7-17)20-12-15-22(24-16-20)19-10-13-21(23)14-11-19/h6-16H,2-5H2,1H3
InChIKeyPYOMYMAKEFJRPC-UHFFFAOYSA-N
XLogP6.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.33
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine?
The IUPAC name of 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine (CID 3126211) is 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine?
The canonical SMILES for 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine is CCCCCc1ccc(-c2ccc(-c3ccc(Br)cc3)nc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine?
The InChIKey is PYOMYMAKEFJRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN/c1-2-3-4-5-17-6-8-18(9-7-17)20-12-15-22(24-16-20)19-10-13-21(23)14-11-19/h6-16H,2-5H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine?
2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine has a molecular weight of 380.33 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(4-pentylphenyl)pyridine is sourced from PubChem (CID 3126211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).