2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine

C7H12BrNO — CID 151678000

IUPAC2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine
SMILESBrCCOC1CCC=CN1
InChIInChI=1S/C7H12BrNO/c8-4-6-10-7-3-1-2-5-9-7/h2,5,7,9H,1,3-4,6H2
InChIKeyQZXXLGLKESYDFR-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine

2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine (PubChem CID 151678000) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine
PubChem CID151678000
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine
SMILESBrCCOC1CCC=CN1
InChIInChI=1S/C7H12BrNO/c8-4-6-10-7-3-1-2-5-9-7/h2,5,7,9H,1,3-4,6H2
InChIKeyQZXXLGLKESYDFR-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.62
H-Bond Donors ≤ 51
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 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine (CID 151678000) is 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine is BrCCOC1CCC=CN1.
What is the InChIKey of 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine?
The InChIKey is QZXXLGLKESYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c8-4-6-10-7-3-1-2-5-9-7/h2,5,7,9H,1,3-4,6H2.
What are the key properties of 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine?
2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine has a molecular weight of 206.08 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 151678000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).