1-(3-nitro-2-pyridinyl)piperazine

C9H12N4O2 — CID 3778834

IUPAC1-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2
InChIKeyHSAKGWZDXDRYTB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.40
Rot. Bonds2

About 1-(3-nitro-2-pyridinyl)piperazine

1-(3-nitro-2-pyridinyl)piperazine (PubChem CID 3778834) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)piperazine
PubChem CID3778834
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1N1CCNCC1
InChIInChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2
InChIKeyHSAKGWZDXDRYTB-UHFFFAOYSA-N
XLogP0.40
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.40
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 1-(3-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-nitro-2-pyridinyl)piperazine (CID 3778834) is 1-(3-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1cccnc1N1CCNCC1.
What is the InChIKey of 1-(3-nitro-2-pyridinyl)piperazine?
The InChIKey is HSAKGWZDXDRYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2.
What are the key properties of 1-(3-nitro-2-pyridinyl)piperazine?
1-(3-nitro-2-pyridinyl)piperazine has a molecular weight of 208.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 3778834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).