2-nitro-5-piperidin-4-ylpyridine

C10H13N3O2 — CID 118988934

IUPAC2-nitro-5-piperidin-4-ylpyridine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)cn1
InChIInChI=1S/C10H13N3O2/c14-13(15)10-2-1-9(7-12-10)8-3-5-11-6-4-8/h1-2,7-8,11H,3-6H2
InChIKeyHPRQPAZHFAXZNE-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.46
Rot. Bonds2

About 2-nitro-5-piperidin-4-ylpyridine

2-nitro-5-piperidin-4-ylpyridine (PubChem CID 118988934) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-nitro-5-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-nitro-5-piperidin-4-ylpyridine
PubChem CID118988934
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-nitro-5-piperidin-4-ylpyridine
SMILESO=[N+]([O-])c1ccc(C2CCNCC2)cn1
InChIInChI=1S/C10H13N3O2/c14-13(15)10-2-1-9(7-12-10)8-3-5-11-6-4-8/h1-2,7-8,11H,3-6H2
InChIKeyHPRQPAZHFAXZNE-UHFFFAOYSA-N
XLogP1.46
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-nitro-5-piperidin-4-ylpyridine?
The IUPAC name of 2-nitro-5-piperidin-4-ylpyridine (CID 118988934) is 2-nitro-5-piperidin-4-ylpyridine.
What is the SMILES notation for 2-nitro-5-piperidin-4-ylpyridine?
The canonical SMILES for 2-nitro-5-piperidin-4-ylpyridine is O=[N+]([O-])c1ccc(C2CCNCC2)cn1.
What is the InChIKey of 2-nitro-5-piperidin-4-ylpyridine?
The InChIKey is HPRQPAZHFAXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-13(15)10-2-1-9(7-12-10)8-3-5-11-6-4-8/h1-2,7-8,11H,3-6H2.
What are the key properties of 2-nitro-5-piperidin-4-ylpyridine?
2-nitro-5-piperidin-4-ylpyridine has a molecular weight of 207.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-piperidin-4-ylpyridine is sourced from PubChem (CID 118988934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).