3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde

C10H10BrNO2 — CID 127007256

IUPAC3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CC(O)C2)c(Br)c1
InChIInChI=1S/C10H10BrNO2/c11-9-3-7(6-13)1-2-10(9)12-4-8(14)5-12/h1-3,6,8,14H,4-5H2
InChIKeySOVRMHSNKNEHGO-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.44
Rot. Bonds2

About 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde

3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde (PubChem CID 127007256) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde
PubChem CID127007256
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CC(O)C2)c(Br)c1
InChIInChI=1S/C10H10BrNO2/c11-9-3-7(6-13)1-2-10(9)12-4-8(14)5-12/h1-3,6,8,14H,4-5H2
InChIKeySOVRMHSNKNEHGO-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde 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-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde?
The IUPAC name of 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde (CID 127007256) is 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde.
What is the SMILES notation for 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde?
The canonical SMILES for 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde is O=Cc1ccc(N2CC(O)C2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde?
The InChIKey is SOVRMHSNKNEHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-9-3-7(6-13)1-2-10(9)12-4-8(14)5-12/h1-3,6,8,14H,4-5H2.
What are the key properties of 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde?
3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde has a molecular weight of 256.10 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-hydroxyazetidin-1-yl)benzaldehyde is sourced from PubChem (CID 127007256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).