3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine

C9H11N3O3 — CID 21345211

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine
SMILESO=[N+]([O-])c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11N3O3/c13-12(14)8-3-9(5-10-4-8)15-6-7-1-2-11-7/h3-5,7,11H,1-2,6H2/t7-/m0/s1
InChIKeyJLJRKLRRAKJPDT-ZETCQYMHSA-N
MW209.20 g/mol
LogP0.73
Rot. Bonds4

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine (PubChem CID 21345211) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine
PubChem CID21345211
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine
SMILESO=[N+]([O-])c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C9H11N3O3/c13-12(14)8-3-9(5-10-4-8)15-6-7-1-2-11-7/h3-5,7,11H,1-2,6H2/t7-/m0/s1
InChIKeyJLJRKLRRAKJPDT-ZETCQYMHSA-N
XLogP0.73
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine (CID 21345211) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine is O=[N+]([O-])c1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine?
The InChIKey is JLJRKLRRAKJPDT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-12(14)8-3-9(5-10-4-8)15-6-7-1-2-11-7/h3-5,7,11H,1-2,6H2/t7-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine has a molecular weight of 209.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-nitropyridine is sourced from PubChem (CID 21345211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).