5-bromo-3-nitro-2-piperidin-1-ylpyridine

C10H12BrN3O2 — CID 46738792

IUPAC5-bromo-3-nitro-2-piperidin-1-ylpyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C10H12BrN3O2/c11-8-6-9(14(15)16)10(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyJQYCANJBLLJNHL-UHFFFAOYSA-N
MW286.13 g/mol
LogP2.74
Rot. Bonds2

About 5-bromo-3-nitro-2-piperidin-1-ylpyridine

5-bromo-3-nitro-2-piperidin-1-ylpyridine (PubChem CID 46738792) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-piperidin-1-ylpyridine
PubChem CID46738792
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name5-bromo-3-nitro-2-piperidin-1-ylpyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C10H12BrN3O2/c11-8-6-9(14(15)16)10(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKeyJQYCANJBLLJNHL-UHFFFAOYSA-N
XLogP2.74
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.74
H-Bond Donors ≤ 50
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 5-bromo-3-nitro-2-piperidin-1-ylpyridine?
The IUPAC name of 5-bromo-3-nitro-2-piperidin-1-ylpyridine (CID 46738792) is 5-bromo-3-nitro-2-piperidin-1-ylpyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-piperidin-1-ylpyridine?
The canonical SMILES for 5-bromo-3-nitro-2-piperidin-1-ylpyridine is O=[N+]([O-])c1cc(Br)cnc1N1CCCCC1.
What is the InChIKey of 5-bromo-3-nitro-2-piperidin-1-ylpyridine?
The InChIKey is JQYCANJBLLJNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-8-6-9(14(15)16)10(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2.
What are the key properties of 5-bromo-3-nitro-2-piperidin-1-ylpyridine?
5-bromo-3-nitro-2-piperidin-1-ylpyridine has a molecular weight of 286.13 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-piperidin-1-ylpyridine is sourced from PubChem (CID 46738792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).