4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde

C10H10ClNO2 — CID 130906304

IUPAC4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1N1CC(O)C1
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-7(6-13)10(3-8)12-4-9(14)5-12/h1-3,6,9,14H,4-5H2
InChIKeyFOBMQIAVIOANOI-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.33
Rot. Bonds2

About 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde

4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde (PubChem CID 130906304) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde
PubChem CID130906304
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1N1CC(O)C1
InChIInChI=1S/C10H10ClNO2/c11-8-2-1-7(6-13)10(3-8)12-4-9(14)5-12/h1-3,6,9,14H,4-5H2
InChIKeyFOBMQIAVIOANOI-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde?
The IUPAC name of 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde (CID 130906304) is 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde?
The canonical SMILES for 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde is O=Cc1ccc(Cl)cc1N1CC(O)C1.
What is the InChIKey of 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde?
The InChIKey is FOBMQIAVIOANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-2-1-7(6-13)10(3-8)12-4-9(14)5-12/h1-3,6,9,14H,4-5H2.
What are the key properties of 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde?
4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde has a molecular weight of 211.65 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde is sourced from PubChem (CID 130906304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).