2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine

C9H13BrN2O — CID 46233349

IUPAC2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-12(2)6-7-13-9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3
InChIKeyGBZVFQICYGHZFW-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.78
Rot. Bonds4

About 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine

2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine (PubChem CID 46233349) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine
PubChem CID46233349
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(Br)n1
InChIInChI=1S/C9H13BrN2O/c1-12(2)6-7-13-9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3
InChIKeyGBZVFQICYGHZFW-UHFFFAOYSA-N
XLogP1.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine 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 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine (CID 46233349) is 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine is CN(C)CCOc1cccc(Br)n1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine?
The InChIKey is GBZVFQICYGHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12(2)6-7-13-9-5-3-4-8(10)11-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine?
2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine has a molecular weight of 245.12 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 46233349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).