4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine

C13H19N3O3 — CID 79176653

IUPAC4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
SMILESCc1cc(OCCC2CCCNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10-7-13(15-9-12(10)16(17)18)19-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3
InChIKeyXQUNASFOVLIXEG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds5

About 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine

4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine (PubChem CID 79176653) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine.

Molecular Properties

Compound Name4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
PubChem CID79176653
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
SMILESCc1cc(OCCC2CCCNC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10-7-13(15-9-12(10)16(17)18)19-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3
InChIKeyXQUNASFOVLIXEG-UHFFFAOYSA-N
XLogP2.07
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
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 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
The IUPAC name of 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine (CID 79176653) is 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine.
What is the SMILES notation for 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
The canonical SMILES for 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine is Cc1cc(OCCC2CCCNC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
The InChIKey is XQUNASFOVLIXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-7-13(15-9-12(10)16(17)18)19-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3.
What are the key properties of 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine has a molecular weight of 265.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine is sourced from PubChem (CID 79176653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).