1-(5-bromo-2-pyridinyl)azetidin-3-ol

C8H9BrN2O — CID 59139773

IUPAC1-(5-bromo-2-pyridinyl)azetidin-3-ol
SMILESOC1CN(c2ccc(Br)cn2)C1
InChIInChI=1S/C8H9BrN2O/c9-6-1-2-8(10-3-6)11-4-7(12)5-11/h1-3,7,12H,4-5H2
InChIKeyGVBCECQUXJWZEI-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.02
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)azetidin-3-ol

1-(5-bromo-2-pyridinyl)azetidin-3-ol (PubChem CID 59139773) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)azetidin-3-ol
PubChem CID59139773
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name1-(5-bromo-2-pyridinyl)azetidin-3-ol
SMILESOC1CN(c2ccc(Br)cn2)C1
InChIInChI=1S/C8H9BrN2O/c9-6-1-2-8(10-3-6)11-4-7(12)5-11/h1-3,7,12H,4-5H2
InChIKeyGVBCECQUXJWZEI-UHFFFAOYSA-N
XLogP1.02
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)azetidin-3-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)azetidin-3-ol (CID 59139773) is 1-(5-bromo-2-pyridinyl)azetidin-3-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)azetidin-3-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)azetidin-3-ol is OC1CN(c2ccc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)azetidin-3-ol?
The InChIKey is GVBCECQUXJWZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-6-1-2-8(10-3-6)11-4-7(12)5-11/h1-3,7,12H,4-5H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)azetidin-3-ol?
1-(5-bromo-2-pyridinyl)azetidin-3-ol has a molecular weight of 229.08 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)azetidin-3-ol is sourced from PubChem (CID 59139773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).