5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine

C10H12BrNO2 — CID 123450530

IUPAC5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine
SMILESCCc1cc(Br)cnc1C1(OC)CO1
InChIInChI=1S/C10H12BrNO2/c1-3-7-4-8(11)5-12-9(7)10(13-2)6-14-10/h4-5H,3,6H2,1-2H3
InChIKeyIXKLLAGEDLKRRX-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.24
Rot. Bonds3

About 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine

5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine (PubChem CID 123450530) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine
PubChem CID123450530
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine
SMILESCCc1cc(Br)cnc1C1(OC)CO1
InChIInChI=1S/C10H12BrNO2/c1-3-7-4-8(11)5-12-9(7)10(13-2)6-14-10/h4-5H,3,6H2,1-2H3
InChIKeyIXKLLAGEDLKRRX-UHFFFAOYSA-N
XLogP2.24
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine?
The IUPAC name of 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine (CID 123450530) is 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine.
What is the SMILES notation for 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine?
The canonical SMILES for 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine is CCc1cc(Br)cnc1C1(OC)CO1.
What is the InChIKey of 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine?
The InChIKey is IXKLLAGEDLKRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-7-4-8(11)5-12-9(7)10(13-2)6-14-10/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine?
5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine has a molecular weight of 258.11 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-2-(2-methoxyoxiran-2-yl)pyridine is sourced from PubChem (CID 123450530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).