2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine

C12H17N3O3 — CID 102954630

IUPAC2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine
SMILESCc1nc(OC2CNCCC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-8-5-6-13-7-11(8)18-12-4-3-10(15(16)17)9(2)14-12/h3-4,8,11,13H,5-7H2,1-2H3
InChIKeyCHFZBLBQTAYTAS-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine

2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine (PubChem CID 102954630) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine
PubChem CID102954630
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine
SMILESCc1nc(OC2CNCCC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-8-5-6-13-7-11(8)18-12-4-3-10(15(16)17)9(2)14-12/h3-4,8,11,13H,5-7H2,1-2H3
InChIKeyCHFZBLBQTAYTAS-UHFFFAOYSA-N
XLogP1.68
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.68
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'}

Analyze 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine 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 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine?
The IUPAC name of 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine (CID 102954630) is 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine.
What is the SMILES notation for 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine?
The canonical SMILES for 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine is Cc1nc(OC2CNCCC2C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine?
The InChIKey is CHFZBLBQTAYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-5-6-13-7-11(8)18-12-4-3-10(15(16)17)9(2)14-12/h3-4,8,11,13H,5-7H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine?
2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine has a molecular weight of 251.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine is sourced from PubChem (CID 102954630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).