1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol

C12H17FN2O2 — CID 175497522

IUPAC1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol
SMILESCC(O)COc1ncccc1CN1CCC1F
InChIInChI=1S/C12H17FN2O2/c1-9(16)8-17-12-10(3-2-5-14-12)7-15-6-4-11(15)13/h2-3,5,9,11,16H,4,6-8H2,1H3
InChIKeyPEJMDWFDGOVKGZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.34
Rot. Bonds5

About 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol

1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol (PubChem CID 175497522) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol
PubChem CID175497522
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol
SMILESCC(O)COc1ncccc1CN1CCC1F
InChIInChI=1S/C12H17FN2O2/c1-9(16)8-17-12-10(3-2-5-14-12)7-15-6-4-11(15)13/h2-3,5,9,11,16H,4,6-8H2,1H3
InChIKeyPEJMDWFDGOVKGZ-UHFFFAOYSA-N
XLogP1.34
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol?
The IUPAC name of 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol (CID 175497522) is 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol.
What is the SMILES notation for 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol?
The canonical SMILES for 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol is CC(O)COc1ncccc1CN1CCC1F.
What is the InChIKey of 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol?
The InChIKey is PEJMDWFDGOVKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(16)8-17-12-10(3-2-5-14-12)7-15-6-4-11(15)13/h2-3,5,9,11,16H,4,6-8H2,1H3.
What are the key properties of 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol?
1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol has a molecular weight of 240.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(2-fluoroazetidin-1-yl)methyl]-2-pyridinyl]oxy]propan-2-ol is sourced from PubChem (CID 175497522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).