(1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C10H11N3O3 — CID 156663105

IUPAC(1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESO=[N+]([O-])c1ccc(N2C[C@H]3CC2CO3)cn1
InChIInChI=1S/C10H11N3O3/c14-13(15)10-2-1-7(4-11-10)12-5-9-3-8(12)6-16-9/h1-2,4,8-9H,3,5-6H2/t8?,9-/m1/s1
InChIKeyGMTAEDBOAVGNJJ-YGPZHTELSA-N
MW221.22 g/mol
LogP0.97
Rot. Bonds2

About (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane

(1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 156663105) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID156663105
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESO=[N+]([O-])c1ccc(N2C[C@H]3CC2CO3)cn1
InChIInChI=1S/C10H11N3O3/c14-13(15)10-2-1-7(4-11-10)12-5-9-3-8(12)6-16-9/h1-2,4,8-9H,3,5-6H2/t8?,9-/m1/s1
InChIKeyGMTAEDBOAVGNJJ-YGPZHTELSA-N
XLogP0.97
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
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'}

Analyze (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane 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 (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 156663105) is (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane is O=[N+]([O-])c1ccc(N2C[C@H]3CC2CO3)cn1.
What is the InChIKey of (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is GMTAEDBOAVGNJJ-YGPZHTELSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-13(15)10-2-1-7(4-11-10)12-5-9-3-8(12)6-16-9/h1-2,4,8-9H,3,5-6H2/t8?,9-/m1/s1.
What are the key properties of (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 221.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 156663105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).