2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile

C9H7N3O — CID 59332863

IUPAC2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC1=O
InChIInChI=1S/C9H7N3O/c10-6-7-2-1-4-11-9(7)12-5-3-8(12)13/h1-2,4H,3,5H2
InChIKeyYUGCOXDQKWSQMF-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.69
Rot. Bonds1

About 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile

2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile (PubChem CID 59332863) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile
PubChem CID59332863
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC1=O
InChIInChI=1S/C9H7N3O/c10-6-7-2-1-4-11-9(7)12-5-3-8(12)13/h1-2,4H,3,5H2
InChIKeyYUGCOXDQKWSQMF-UHFFFAOYSA-N
XLogP0.69
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile (CID 59332863) is 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC1=O.
What is the InChIKey of 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is YUGCOXDQKWSQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c10-6-7-2-1-4-11-9(7)12-5-3-8(12)13/h1-2,4H,3,5H2.
What are the key properties of 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile?
2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 173.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 59332863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).