3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol

C15H15BrN2O — CID 126838899

IUPAC3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol
SMILESOC1(c2ccc(Br)cc2)CN(Cc2ccncc2)C1
InChIInChI=1S/C15H15BrN2O/c16-14-3-1-13(2-4-14)15(19)10-18(11-15)9-12-5-7-17-8-6-12/h1-8,19H,9-11H2
InChIKeySTWPARRHFXIUHS-UHFFFAOYSA-N
MW319.20 g/mol
LogP2.55
Rot. Bonds3

About 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol

3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol (PubChem CID 126838899) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol
PubChem CID126838899
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol
SMILESOC1(c2ccc(Br)cc2)CN(Cc2ccncc2)C1
InChIInChI=1S/C15H15BrN2O/c16-14-3-1-13(2-4-14)15(19)10-18(11-15)9-12-5-7-17-8-6-12/h1-8,19H,9-11H2
InChIKeySTWPARRHFXIUHS-UHFFFAOYSA-N
XLogP2.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-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-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol?
The IUPAC name of 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol (CID 126838899) is 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol.
What is the SMILES notation for 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol?
The canonical SMILES for 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol is OC1(c2ccc(Br)cc2)CN(Cc2ccncc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol?
The InChIKey is STWPARRHFXIUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-14-3-1-13(2-4-14)15(19)10-18(11-15)9-12-5-7-17-8-6-12/h1-8,19H,9-11H2.
What are the key properties of 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol?
3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol has a molecular weight of 319.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)azetidin-3-ol is sourced from PubChem (CID 126838899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).