5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine

C9H10BrNO — CID 129312070

IUPAC5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine
SMILESCC1OC1(C)c1ccc(Br)cn1
InChIInChI=1S/C9H10BrNO/c1-6-9(2,12-6)8-4-3-7(10)5-11-8/h3-6H,1-2H3
InChIKeyIWHXDMBWZUUSTK-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.48
Rot. Bonds1

About 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine

5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine (PubChem CID 129312070) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine
PubChem CID129312070
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine
SMILESCC1OC1(C)c1ccc(Br)cn1
InChIInChI=1S/C9H10BrNO/c1-6-9(2,12-6)8-4-3-7(10)5-11-8/h3-6H,1-2H3
InChIKeyIWHXDMBWZUUSTK-UHFFFAOYSA-N
XLogP2.48
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine?
The IUPAC name of 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine (CID 129312070) is 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine?
The canonical SMILES for 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine is CC1OC1(C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine?
The InChIKey is IWHXDMBWZUUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-9(2,12-6)8-4-3-7(10)5-11-8/h3-6H,1-2H3.
What are the key properties of 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine?
5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine has a molecular weight of 228.09 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethyloxiran-2-yl)pyridine is sourced from PubChem (CID 129312070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).