3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine

C10H13N3O3 — CID 70083759

IUPAC3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine
SMILESCC(Oc1cncc([N+](=O)[O-])c1)[C@H]1CCN1
InChIInChI=1S/C10H13N3O3/c1-7(10-2-3-12-10)16-9-4-8(13(14)15)5-11-6-9/h4-7,10,12H,2-3H2,1H3/t7?,10-/m1/s1
InChIKeyDNWLIHKTDUKRKP-OMNKOJBGSA-N
MW223.23 g/mol
LogP1.12
Rot. Bonds4

About 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine

3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine (PubChem CID 70083759) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine.

Molecular Properties

Compound Name3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine
PubChem CID70083759
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine
SMILESCC(Oc1cncc([N+](=O)[O-])c1)[C@H]1CCN1
InChIInChI=1S/C10H13N3O3/c1-7(10-2-3-12-10)16-9-4-8(13(14)15)5-11-6-9/h4-7,10,12H,2-3H2,1H3/t7?,10-/m1/s1
InChIKeyDNWLIHKTDUKRKP-OMNKOJBGSA-N
XLogP1.12
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.12
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-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine?
The IUPAC name of 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine (CID 70083759) is 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine.
What is the SMILES notation for 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine?
The canonical SMILES for 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine is CC(Oc1cncc([N+](=O)[O-])c1)[C@H]1CCN1.
What is the InChIKey of 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine?
The InChIKey is DNWLIHKTDUKRKP-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(10-2-3-12-10)16-9-4-8(13(14)15)5-11-6-9/h4-7,10,12H,2-3H2,1H3/t7?,10-/m1/s1.
What are the key properties of 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine?
3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine has a molecular weight of 223.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine is sourced from PubChem (CID 70083759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).