2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol

C11H15IN2O — CID 164587109

IUPAC2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2cc(I)ccn2)C1
InChIInChI=1S/C11H15IN2O/c1-11(2,15)8-6-14(7-8)10-5-9(12)3-4-13-10/h3-5,8,15H,6-7H2,1-2H3
InChIKeySSMKMXXYZLBXIS-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.89
Rot. Bonds2

About 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol

2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol (PubChem CID 164587109) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
PubChem CID164587109
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2cc(I)ccn2)C1
InChIInChI=1S/C11H15IN2O/c1-11(2,15)8-6-14(7-8)10-5-9(12)3-4-13-10/h3-5,8,15H,6-7H2,1-2H3
InChIKeySSMKMXXYZLBXIS-UHFFFAOYSA-N
XLogP1.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-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 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol (CID 164587109) is 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol is CC(C)(O)C1CN(c2cc(I)ccn2)C1.
What is the InChIKey of 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
The InChIKey is SSMKMXXYZLBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-11(2,15)8-6-14(7-8)10-5-9(12)3-4-13-10/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol?
2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol has a molecular weight of 318.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol is sourced from PubChem (CID 164587109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).