2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine

C9H13BrN2O — CID 22607746

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-12(2)3-4-13-9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3
InChIKeySROIVRQGULXMOZ-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.78
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine

2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine (PubChem CID 22607746) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine
PubChem CID22607746
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-12(2)3-4-13-9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3
InChIKeySROIVRQGULXMOZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine (CID 22607746) is 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine is CN(C)CCOc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine?
The InChIKey is SROIVRQGULXMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-12(2)3-4-13-9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine?
2-[(5-bromo-3-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-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 22607746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).