2-(2-bromodecyl)pyridine

C15H24BrN — CID 66452883

IUPAC2-(2-bromodecyl)pyridine
SMILESCCCCCCCCC(Br)Cc1ccccn1
InChIInChI=1S/C15H24BrN/c1-2-3-4-5-6-7-10-14(16)13-15-11-8-9-12-17-15/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyUXEOQACBXWTGHT-UHFFFAOYSA-N
MW298.27 g/mol
LogP5.14
Rot. Bonds9

About 2-(2-bromodecyl)pyridine

2-(2-bromodecyl)pyridine (PubChem CID 66452883) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(2-bromodecyl)pyridine.

Molecular Properties

Compound Name2-(2-bromodecyl)pyridine
PubChem CID66452883
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-(2-bromodecyl)pyridine
SMILESCCCCCCCCC(Br)Cc1ccccn1
InChIInChI=1S/C15H24BrN/c1-2-3-4-5-6-7-10-14(16)13-15-11-8-9-12-17-15/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyUXEOQACBXWTGHT-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.27
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromodecyl)pyridine?
The IUPAC name of 2-(2-bromodecyl)pyridine (CID 66452883) is 2-(2-bromodecyl)pyridine.
What is the SMILES notation for 2-(2-bromodecyl)pyridine?
The canonical SMILES for 2-(2-bromodecyl)pyridine is CCCCCCCCC(Br)Cc1ccccn1.
What is the InChIKey of 2-(2-bromodecyl)pyridine?
The InChIKey is UXEOQACBXWTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-2-3-4-5-6-7-10-14(16)13-15-11-8-9-12-17-15/h8-9,11-12,14H,2-7,10,13H2,1H3.
What are the key properties of 2-(2-bromodecyl)pyridine?
2-(2-bromodecyl)pyridine has a molecular weight of 298.27 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromodecyl)pyridine is sourced from PubChem (CID 66452883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).