2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol

C7H9BrN2O2 — CID 61228106

IUPAC2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol
SMILESNc1cc(Br)cnc1OCCO
InChIInChI=1S/C7H9BrN2O2/c8-5-3-6(9)7(10-4-5)12-2-1-11/h3-4,11H,1-2,9H2
InChIKeyMATRSDBIAZCKRO-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.80
Rot. Bonds3

About 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol

2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol (PubChem CID 61228106) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol
PubChem CID61228106
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol
SMILESNc1cc(Br)cnc1OCCO
InChIInChI=1S/C7H9BrN2O2/c8-5-3-6(9)7(10-4-5)12-2-1-11/h3-4,11H,1-2,9H2
InChIKeyMATRSDBIAZCKRO-UHFFFAOYSA-N
XLogP0.80
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol?
The IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol (CID 61228106) is 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol.
What is the SMILES notation for 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol?
The canonical SMILES for 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol is Nc1cc(Br)cnc1OCCO.
What is the InChIKey of 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol?
The InChIKey is MATRSDBIAZCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c8-5-3-6(9)7(10-4-5)12-2-1-11/h3-4,11H,1-2,9H2.
What are the key properties of 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol?
2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol has a molecular weight of 233.06 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-2-pyridinyl)oxy]ethanol is sourced from PubChem (CID 61228106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).