3,5-dinitro-2-piperidin-1-ylpyridine

C10H12N4O4 — CID 616531

IUPAC3,5-dinitro-2-piperidin-1-ylpyridine
SMILESO=[N+]([O-])c1cnc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N4O4/c15-13(16)8-6-9(14(17)18)10(11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2
InChIKeyMSOPZJOZOWWLIC-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.89
Rot. Bonds3

About 3,5-dinitro-2-piperidin-1-ylpyridine

3,5-dinitro-2-piperidin-1-ylpyridine (PubChem CID 616531) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 3,5-dinitro-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name3,5-dinitro-2-piperidin-1-ylpyridine
PubChem CID616531
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name3,5-dinitro-2-piperidin-1-ylpyridine
SMILESO=[N+]([O-])c1cnc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N4O4/c15-13(16)8-6-9(14(17)18)10(11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2
InChIKeyMSOPZJOZOWWLIC-UHFFFAOYSA-N
XLogP1.89
TPSA102.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dinitro-2-piperidin-1-ylpyridine 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 3,5-dinitro-2-piperidin-1-ylpyridine?
The IUPAC name of 3,5-dinitro-2-piperidin-1-ylpyridine (CID 616531) is 3,5-dinitro-2-piperidin-1-ylpyridine.
What is the SMILES notation for 3,5-dinitro-2-piperidin-1-ylpyridine?
The canonical SMILES for 3,5-dinitro-2-piperidin-1-ylpyridine is O=[N+]([O-])c1cnc(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-2-piperidin-1-ylpyridine?
The InChIKey is MSOPZJOZOWWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c15-13(16)8-6-9(14(17)18)10(11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2.
What are the key properties of 3,5-dinitro-2-piperidin-1-ylpyridine?
3,5-dinitro-2-piperidin-1-ylpyridine has a molecular weight of 252.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-2-piperidin-1-ylpyridine is sourced from PubChem (CID 616531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).