2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine

C12H16BrNO — CID 63588182

IUPAC2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine
SMILESCCOc1cccc(CC(Br)C2CC2)n1
InChIInChI=1S/C12H16BrNO/c1-2-15-12-5-3-4-10(14-12)8-11(13)9-6-7-9/h3-5,9,11H,2,6-8H2,1H3
InChIKeyYQCSDXPKLJDGTD-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine

2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine (PubChem CID 63588182) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine.

Molecular Properties

Compound Name2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine
PubChem CID63588182
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine
SMILESCCOc1cccc(CC(Br)C2CC2)n1
InChIInChI=1S/C12H16BrNO/c1-2-15-12-5-3-4-10(14-12)8-11(13)9-6-7-9/h3-5,9,11H,2,6-8H2,1H3
InChIKeyYQCSDXPKLJDGTD-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.20
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 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine?
The IUPAC name of 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine (CID 63588182) is 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine.
What is the SMILES notation for 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine?
The canonical SMILES for 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine is CCOc1cccc(CC(Br)C2CC2)n1.
What is the InChIKey of 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine?
The InChIKey is YQCSDXPKLJDGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-15-12-5-3-4-10(14-12)8-11(13)9-6-7-9/h3-5,9,11H,2,6-8H2,1H3.
What are the key properties of 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine?
2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine has a molecular weight of 270.17 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-cyclopropylethyl)-6-ethoxypyridine is sourced from PubChem (CID 63588182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).