2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine

C13H19BrN2 — CID 114594537

IUPAC2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)C(C)N(c2cccc(Br)n2)C1
InChIInChI=1S/C13H19BrN2/c1-9-7-10(2)11(3)16(8-9)13-6-4-5-12(14)15-13/h4-6,9-11H,7-8H2,1-3H3
InChIKeyGNJIQMATJVGUAD-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.71
Rot. Bonds1

About 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine

2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine (PubChem CID 114594537) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
PubChem CID114594537
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
SMILESCC1CC(C)C(C)N(c2cccc(Br)n2)C1
InChIInChI=1S/C13H19BrN2/c1-9-7-10(2)11(3)16(8-9)13-6-4-5-12(14)15-13/h4-6,9-11H,7-8H2,1-3H3
InChIKeyGNJIQMATJVGUAD-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
The IUPAC name of 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine (CID 114594537) is 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine is CC1CC(C)C(C)N(c2cccc(Br)n2)C1.
What is the InChIKey of 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
The InChIKey is GNJIQMATJVGUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-7-10(2)11(3)16(8-9)13-6-4-5-12(14)15-13/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine?
2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine has a molecular weight of 283.21 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 114594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).