5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one

C9H10F2N2O — CID 139579810

IUPAC5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CN2CC(F)(F)C2)c[nH]1
InChIInChI=1S/C9H10F2N2O/c10-9(11)5-13(6-9)4-7-1-2-8(14)12-3-7/h1-3H,4-6H2,(H,12,14)
InChIKeyBOXKVZTZXZQWII-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.83
Rot. Bonds2

About 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one

5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 139579810) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID139579810
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1ccc(CN2CC(F)(F)C2)c[nH]1
InChIInChI=1S/C9H10F2N2O/c10-9(11)5-13(6-9)4-7-1-2-8(14)12-3-7/h1-3H,4-6H2,(H,12,14)
InChIKeyBOXKVZTZXZQWII-UHFFFAOYSA-N
XLogP0.83
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one 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 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one (CID 139579810) is 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one is O=c1ccc(CN2CC(F)(F)C2)c[nH]1.
What is the InChIKey of 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is BOXKVZTZXZQWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-9(11)5-13(6-9)4-7-1-2-8(14)12-3-7/h1-3H,4-6H2,(H,12,14).
What are the key properties of 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one?
5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 200.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoroazetidin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 139579810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).