3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

C11H15N3O3 — CID 79465633

IUPAC3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H15N3O3/c12-8-2-1-3-10(6-8)17-11-5-4-9(7-13-11)14(15)16/h4-5,7-8,10H,1-3,6,12H2
InChIKeyDJHYALKMBJYDJX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.64
Rot. Bonds3

About 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine

3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 79465633) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID79465633
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H15N3O3/c12-8-2-1-3-10(6-8)17-11-5-4-9(7-13-11)14(15)16/h4-5,7-8,10H,1-3,6,12H2
InChIKeyDJHYALKMBJYDJX-UHFFFAOYSA-N
XLogP1.64
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.64
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-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine (CID 79465633) is 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is NC1CCCC(Oc2ccc([N+](=O)[O-])cn2)C1.
What is the InChIKey of 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is DJHYALKMBJYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-8-2-1-3-10(6-8)17-11-5-4-9(7-13-11)14(15)16/h4-5,7-8,10H,1-3,6,12H2.
What are the key properties of 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine?
3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 237.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 79465633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).