3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol

C8H10BrNO2 — CID 61375068

IUPAC3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol
SMILESOCCCOc1ncccc1Br
InChIInChI=1S/C8H10BrNO2/c9-7-3-1-4-10-8(7)12-6-2-5-11/h1,3-4,11H,2,5-6H2
InChIKeyLFYQVFCWAQCPCU-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.61
Rot. Bonds4

About 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol

3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol (PubChem CID 61375068) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol
PubChem CID61375068
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol
SMILESOCCCOc1ncccc1Br
InChIInChI=1S/C8H10BrNO2/c9-7-3-1-4-10-8(7)12-6-2-5-11/h1,3-4,11H,2,5-6H2
InChIKeyLFYQVFCWAQCPCU-UHFFFAOYSA-N
XLogP1.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2-pyridinyl)oxy]ethanol
CID 58241926
3-bromo-2-(4,4,4-trifluorobutoxy)pyridine
CID 82788804
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
3-bromo-2-(2-cyclobutylethoxy)pyridine
CID 106203696
acetyl cyanide;3-bromo-2-(2-methoxyethoxy)pyridine
CID 118959757
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913
3-pyrimidin-2-yloxypropan-1-ol
CID 119093000
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
CID 61373558
2-[(3-bromo-2-pyridinyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134862019
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523
3-bromo-2-(furan-2-ylmethoxy)pyridine
CID 61373376
3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol
CID 79076426

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol (CID 61375068) is 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol is OCCCOc1ncccc1Br.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol?
The InChIKey is LFYQVFCWAQCPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-7-3-1-4-10-8(7)12-6-2-5-11/h1,3-4,11H,2,5-6H2.
What are the key properties of 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol?
3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol has a molecular weight of 232.08 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol is sourced from PubChem (CID 61375068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).