5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine

C9H11N3O3 — CID 164526083

IUPAC5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(OC[C@H]2CCN2)cn1
InChIInChI=1S/C9H11N3O3/c13-12(14)9-2-1-8(5-11-9)15-6-7-3-4-10-7/h1-2,5,7,10H,3-4,6H2/t7-/m1/s1
InChIKeySRFJAKPKSRFYNX-SSDOTTSWSA-N
MW209.20 g/mol
LogP0.73
Rot. Bonds4

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

5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine (PubChem CID 164526083) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine.

Molecular Properties

Compound Name5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine
PubChem CID164526083
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(OC[C@H]2CCN2)cn1
InChIInChI=1S/C9H11N3O3/c13-12(14)9-2-1-8(5-11-9)15-6-7-3-4-10-7/h1-2,5,7,10H,3-4,6H2/t7-/m1/s1
InChIKeySRFJAKPKSRFYNX-SSDOTTSWSA-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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Related Compounds

5-(azetidin-2-ylmethoxy)-2-bromopyridine
CID 22451668
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
5-[[(2S)-azetidin-2-yl]methoxy]-2-(fluoromethyl)pyridine
CID 54447351
2-nitro-5-pyrrolidin-3-yloxypyridine
CID 82237488
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
(2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 67804264
2-nitro-5-piperidin-4-ylpyridine
CID 118988934
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride
CID 70197125
2-nitro-5-(piperidin-2-ylmethoxy)benzonitrile
CID 115500682

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine?
The IUPAC name of 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine (CID 164526083) is 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine.
What is the SMILES notation for 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine?
The canonical SMILES for 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine is O=[N+]([O-])c1ccc(OC[C@H]2CCN2)cn1.
What is the InChIKey of 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine?
The InChIKey is SRFJAKPKSRFYNX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-12(14)9-2-1-8(5-11-9)15-6-7-3-4-10-7/h1-2,5,7,10H,3-4,6H2/t7-/m1/s1.
What are the key properties of 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine?
5-[[(2R)-azetidin-2-yl]methoxy]-2-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 5-[[(2R)-azetidin-2-yl]methoxy]-2-nitropyridine is sourced from PubChem (CID 164526083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).