3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol

C8H7BrClNO2 — CID 86684260

IUPAC3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol
SMILESOC1(c2c(Cl)ccnc2Br)COC1
InChIInChI=1S/C8H7BrClNO2/c9-7-6(5(10)1-2-11-7)8(12)3-13-4-8/h1-2,12H,3-4H2
InChIKeyZGKCFQCTKLEHSM-UHFFFAOYSA-N
MW264.51 g/mol
LogP1.72
Rot. Bonds1

About 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol

3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol (PubChem CID 86684260) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol
PubChem CID86684260
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol
SMILESOC1(c2c(Cl)ccnc2Br)COC1
InChIInChI=1S/C8H7BrClNO2/c9-7-6(5(10)1-2-11-7)8(12)3-13-4-8/h1-2,12H,3-4H2
InChIKeyZGKCFQCTKLEHSM-UHFFFAOYSA-N
XLogP1.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 51.72
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 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol?
The IUPAC name of 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol (CID 86684260) is 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol.
What is the SMILES notation for 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol?
The canonical SMILES for 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol is OC1(c2c(Cl)ccnc2Br)COC1.
What is the InChIKey of 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol?
The InChIKey is ZGKCFQCTKLEHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c9-7-6(5(10)1-2-11-7)8(12)3-13-4-8/h1-2,12H,3-4H2.
What are the key properties of 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol?
3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol has a molecular weight of 264.51 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol is sourced from PubChem (CID 86684260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).