3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol

C16H17ClN2O2 — CID 146140358

IUPAC3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol
SMILESCC(O)c1cccc(N2CC(O)(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H17ClN2O2/c1-11(20)14-3-2-4-15(18-14)19-9-16(21,10-19)12-5-7-13(17)8-6-12/h2-8,11,20-21H,9-10H2,1H3
InChIKeyRJQGFGYDVUKPGH-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.50
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol

3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol (PubChem CID 146140358) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol
PubChem CID146140358
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol
SMILESCC(O)c1cccc(N2CC(O)(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C16H17ClN2O2/c1-11(20)14-3-2-4-15(18-14)19-9-16(21,10-19)12-5-7-13(17)8-6-12/h2-8,11,20-21H,9-10H2,1H3
InChIKeyRJQGFGYDVUKPGH-UHFFFAOYSA-N
XLogP2.50
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]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-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol (CID 146140358) is 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol is CC(O)c1cccc(N2CC(O)(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol?
The InChIKey is RJQGFGYDVUKPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(20)14-3-2-4-15(18-14)19-9-16(21,10-19)12-5-7-13(17)8-6-12/h2-8,11,20-21H,9-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol?
3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol has a molecular weight of 304.78 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 146140358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).