2-bromo-6-(4-ethylpiperidin-1-yl)pyridine

C12H17BrN2 — CID 63963224

IUPAC2-bromo-6-(4-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C12H17BrN2/c1-2-10-6-8-15(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3
InChIKeyDPRSHKWNONKCGG-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine

2-bromo-6-(4-ethylpiperidin-1-yl)pyridine (PubChem CID 63963224) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(4-ethylpiperidin-1-yl)pyridine
PubChem CID63963224
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-bromo-6-(4-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCN(c2cccc(Br)n2)CC1
InChIInChI=1S/C12H17BrN2/c1-2-10-6-8-15(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3
InChIKeyDPRSHKWNONKCGG-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.47
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-(4-ethylpiperidin-1-yl)pyridine?
The IUPAC name of 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine (CID 63963224) is 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine is CCC1CCN(c2cccc(Br)n2)CC1.
What is the InChIKey of 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine?
The InChIKey is DPRSHKWNONKCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-10-6-8-15(9-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine?
2-bromo-6-(4-ethylpiperidin-1-yl)pyridine has a molecular weight of 269.19 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-ethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 63963224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).