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

C7H8BrNO2 — CID 86643980

IUPAC2-[(6-bromo-3-pyridinyl)oxy]ethanol
SMILESOCCOc1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO2/c8-7-2-1-6(5-9-7)11-4-3-10/h1-2,5,10H,3-4H2
InChIKeyWNSJUFSJUZSGSL-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.22
Rot. Bonds3

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

2-[(6-bromo-3-pyridinyl)oxy]ethanol (PubChem CID 86643980) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)oxy]ethanol
PubChem CID86643980
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name2-[(6-bromo-3-pyridinyl)oxy]ethanol
SMILESOCCOc1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO2/c8-7-2-1-6(5-9-7)11-4-3-10/h1-2,5,10H,3-4H2
InChIKeyWNSJUFSJUZSGSL-UHFFFAOYSA-N
XLogP1.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.22
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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Related Compounds

2-bromo-5-butoxypyridine
CID 87199523
2-bromo-5-(3-chloropropoxy)pyridine
CID 137352816
2-bromo-5-(3,3-dimethylbutoxy)pyridine
CID 102670859
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112
2-[(6-chloro-3-pyridinyl)oxy]ethanol
CID 22036297
2-bromo-5-but-3-ynoxypyridine
CID 103864136
5-[(6-bromo-3-pyridinyl)oxy]pentan-2-one
CID 161220213
2-bromo-5-(3-ethoxypropoxy)pyridine
CID 103816245
2-bromo-5-(2-propoxyethoxy)pyridine
CID 107396761
2-bromo-5-pent-3-ynoxypyridine
CID 104743964
CID 162335780
CID 162335780
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]ethanol?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)oxy]ethanol (CID 86643980) is 2-[(6-bromo-3-pyridinyl)oxy]ethanol.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)oxy]ethanol?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)oxy]ethanol is OCCOc1ccc(Br)nc1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)oxy]ethanol?
The InChIKey is WNSJUFSJUZSGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c8-7-2-1-6(5-9-7)11-4-3-10/h1-2,5,10H,3-4H2.
What are the key properties of 2-[(6-bromo-3-pyridinyl)oxy]ethanol?
2-[(6-bromo-3-pyridinyl)oxy]ethanol has a molecular weight of 218.05 g/mol, XLogP of 1.22, 3 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]ethanol is sourced from PubChem (CID 86643980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).