3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine

C12H16Br2N2 — CID 80662154

IUPAC3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
SMILESBrCCC1CCCCN1c1ncccc1Br
InChIInChI=1S/C12H16Br2N2/c13-7-6-10-4-1-2-9-16(10)12-11(14)5-3-8-15-12/h3,5,8,10H,1-2,4,6-7,9H2
InChIKeyQJYNTWIRFQBELO-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine

3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine (PubChem CID 80662154) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
PubChem CID80662154
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
SMILESBrCCC1CCCCN1c1ncccc1Br
InChIInChI=1S/C12H16Br2N2/c13-7-6-10-4-1-2-9-16(10)12-11(14)5-3-8-15-12/h3,5,8,10H,1-2,4,6-7,9H2
InChIKeyQJYNTWIRFQBELO-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine (CID 80662154) is 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine is BrCCC1CCCCN1c1ncccc1Br.
What is the InChIKey of 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
The InChIKey is QJYNTWIRFQBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c13-7-6-10-4-1-2-9-16(10)12-11(14)5-3-8-15-12/h3,5,8,10H,1-2,4,6-7,9H2.
What are the key properties of 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine?
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine has a molecular weight of 348.08 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 80662154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).