2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride

C7H10BrClN2O — CID 67097508

IUPAC2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O.ClH/c8-6-3-7(5-10-4-6)11-2-1-9;/h3-5H,1-2,9H2;1H
InChIKeyRNBJCOHAZUGCJJ-UHFFFAOYSA-N
MW253.53 g/mol
LogP1.60
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride

2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride (PubChem CID 67097508) has the molecular formula C7H10BrClN2O and a molecular weight of 253.53 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride
PubChem CID67097508
Molecular FormulaC7H10BrClN2O
Molecular Weight253.53 g/mol
Exact Mass251.97
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O.ClH/c8-6-3-7(5-10-4-6)11-2-1-9;/h3-5H,1-2,9H2;1H
InChIKeyRNBJCOHAZUGCJJ-UHFFFAOYSA-N
XLogP1.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride (CID 67097508) is 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride is Cl.NCCOc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride?
The InChIKey is RNBJCOHAZUGCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O.ClH/c8-6-3-7(5-10-4-6)11-2-1-9;/h3-5H,1-2,9H2;1H.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride?
2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride has a molecular weight of 253.53 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]ethanamine;hydrochloride is sourced from PubChem (CID 67097508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).