6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine

C13H19N3O3 — CID 80858797

IUPAC6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine
SMILESCCC1CCCCC1Oc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-2-9-5-3-4-6-11(9)19-13-10(16(17)18)7-8-12(14)15-13/h7-9,11H,2-6H2,1H3,(H2,14,15)
InChIKeyMHIMAPOVJRNFDT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.92
Rot. Bonds4

About 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine

6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine (PubChem CID 80858797) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine
PubChem CID80858797
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine
SMILESCCC1CCCCC1Oc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-2-9-5-3-4-6-11(9)19-13-10(16(17)18)7-8-12(14)15-13/h7-9,11H,2-6H2,1H3,(H2,14,15)
InChIKeyMHIMAPOVJRNFDT-UHFFFAOYSA-N
XLogP2.92
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.92
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 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine?
The IUPAC name of 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine (CID 80858797) is 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine?
The canonical SMILES for 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine is CCC1CCCCC1Oc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine?
The InChIKey is MHIMAPOVJRNFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-9-5-3-4-6-11(9)19-13-10(16(17)18)7-8-12(14)15-13/h7-9,11H,2-6H2,1H3,(H2,14,15).
What are the key properties of 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine?
6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine is sourced from PubChem (CID 80858797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).