2-(4-bromophenyl)-5-pentylpyridine

C16H18BrN — CID 3092175

IUPAC2-(4-bromophenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C16H18BrN/c1-2-3-4-5-13-6-11-16(18-12-13)14-7-9-15(17)10-8-14/h6-12H,2-5H2,1H3
InChIKeyBZTGYWFOKJWBPU-UHFFFAOYSA-N
MW304.23 g/mol
LogP5.24
Rot. Bonds5

About 2-(4-bromophenyl)-5-pentylpyridine

2-(4-bromophenyl)-5-pentylpyridine (PubChem CID 3092175) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-pentylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-pentylpyridine
PubChem CID3092175
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name2-(4-bromophenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C16H18BrN/c1-2-3-4-5-13-6-11-16(18-12-13)14-7-9-15(17)10-8-14/h6-12H,2-5H2,1H3
InChIKeyBZTGYWFOKJWBPU-UHFFFAOYSA-N
XLogP5.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.23
LogP ≤ 55.24
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-pentylpyridine?
The IUPAC name of 2-(4-bromophenyl)-5-pentylpyridine (CID 3092175) is 2-(4-bromophenyl)-5-pentylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-5-pentylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-5-pentylpyridine is CCCCCc1ccc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of 2-(4-bromophenyl)-5-pentylpyridine?
The InChIKey is BZTGYWFOKJWBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-2-3-4-5-13-6-11-16(18-12-13)14-7-9-15(17)10-8-14/h6-12H,2-5H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-pentylpyridine?
2-(4-bromophenyl)-5-pentylpyridine has a molecular weight of 304.23 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-pentylpyridine is sourced from PubChem (CID 3092175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).