3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol

C11H14BrNO3 — CID 170577117

IUPAC3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol
SMILESCC(C)Oc1cc(Br)nc(C2(O)COC2)c1
InChIInChI=1S/C11H14BrNO3/c1-7(2)16-8-3-9(13-10(12)4-8)11(14)5-15-6-11/h3-4,7,14H,5-6H2,1-2H3
InChIKeyFTPMGUGXTRPRRV-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.85
Rot. Bonds3

About 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol

3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol (PubChem CID 170577117) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol
PubChem CID170577117
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol
SMILESCC(C)Oc1cc(Br)nc(C2(O)COC2)c1
InChIInChI=1S/C11H14BrNO3/c1-7(2)16-8-3-9(13-10(12)4-8)11(14)5-15-6-11/h3-4,7,14H,5-6H2,1-2H3
InChIKeyFTPMGUGXTRPRRV-UHFFFAOYSA-N
XLogP1.85
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol?
The IUPAC name of 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol (CID 170577117) is 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol.
What is the SMILES notation for 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol?
The canonical SMILES for 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol is CC(C)Oc1cc(Br)nc(C2(O)COC2)c1.
What is the InChIKey of 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol?
The InChIKey is FTPMGUGXTRPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(2)16-8-3-9(13-10(12)4-8)11(14)5-15-6-11/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol?
3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol has a molecular weight of 288.14 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-propan-2-yloxy-2-pyridinyl)oxetan-3-ol is sourced from PubChem (CID 170577117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).