2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol

C7H7BrClNO2 — CID 86730942

IUPAC2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol
SMILESOCCOc1ccc(Br)nc1Cl
InChIInChI=1S/C7H7BrClNO2/c8-6-2-1-5(7(9)10-6)12-4-3-11/h1-2,11H,3-4H2
InChIKeyISWZGLJOGKFZOS-UHFFFAOYSA-N
MW252.49 g/mol
LogP1.87
Rot. Bonds3

About 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol

2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol (PubChem CID 86730942) has the molecular formula C7H7BrClNO2 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol
PubChem CID86730942
Molecular FormulaC7H7BrClNO2
Molecular Weight252.49 g/mol
Exact Mass250.93
IUPAC Name2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol
SMILESOCCOc1ccc(Br)nc1Cl
InChIInChI=1S/C7H7BrClNO2/c8-6-2-1-5(7(9)10-6)12-4-3-11/h1-2,11H,3-4H2
InChIKeyISWZGLJOGKFZOS-UHFFFAOYSA-N
XLogP1.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol?
The IUPAC name of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol (CID 86730942) is 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol.
What is the SMILES notation for 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol?
The canonical SMILES for 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol is OCCOc1ccc(Br)nc1Cl.
What is the InChIKey of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol?
The InChIKey is ISWZGLJOGKFZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2/c8-6-2-1-5(7(9)10-6)12-4-3-11/h1-2,11H,3-4H2.
What are the key properties of 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol?
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol has a molecular weight of 252.49 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol is sourced from PubChem (CID 86730942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).