2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine

C8H11BrN2O — CID 162753112

IUPAC2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
SMILESCNCCOc1ccc(Br)nc1
InChIInChI=1S/C8H11BrN2O/c1-10-4-5-12-7-2-3-8(9)11-6-7/h2-3,6,10H,4-5H2,1H3
InChIKeyQSANTDIZVQAUPC-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.44
Rot. Bonds4

About 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine

2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine (PubChem CID 162753112) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
PubChem CID162753112
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
SMILESCNCCOc1ccc(Br)nc1
InChIInChI=1S/C8H11BrN2O/c1-10-4-5-12-7-2-3-8(9)11-6-7/h2-3,6,10H,4-5H2,1H3
InChIKeyQSANTDIZVQAUPC-UHFFFAOYSA-N
XLogP1.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine (CID 162753112) is 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine is CNCCOc1ccc(Br)nc1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine?
The InChIKey is QSANTDIZVQAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-10-4-5-12-7-2-3-8(9)11-6-7/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine?
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine has a molecular weight of 231.09 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine is sourced from PubChem (CID 162753112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).