N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine

C11H15N3O3 — CID 114096364

IUPACN-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine
SMILESCC1OCCC1(C)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H15N3O3/c1-8-11(2,5-6-17-8)13-9-3-4-10(12-7-9)14(15)16/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyNUUWJSCPPMMZEA-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.97
Rot. Bonds3

About N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine

N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine (PubChem CID 114096364) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine
PubChem CID114096364
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine
SMILESCC1OCCC1(C)Nc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H15N3O3/c1-8-11(2,5-6-17-8)13-9-3-4-10(12-7-9)14(15)16/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyNUUWJSCPPMMZEA-UHFFFAOYSA-N
XLogP1.97
TPSA77.29 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 ≤ 51.97
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 N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine?
The IUPAC name of N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine (CID 114096364) is N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine.
What is the SMILES notation for N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine?
The canonical SMILES for N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine is CC1OCCC1(C)Nc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine?
The InChIKey is NUUWJSCPPMMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-11(2,5-6-17-8)13-9-3-4-10(12-7-9)14(15)16/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine?
N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine has a molecular weight of 237.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine is sourced from PubChem (CID 114096364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).