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

C9H12N4O2 — CID 91568901

IUPAC2-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1C1CNCCN1
InChIInChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-12-9(8)7-6-10-4-5-11-7/h1-3,7,10-11H,4-6H2
InChIKeyZLENQQVPFHICSY-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.22
Rot. Bonds2

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

2-(3-nitro-2-pyridinyl)piperazine (PubChem CID 91568901) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(3-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name2-(3-nitro-2-pyridinyl)piperazine
PubChem CID91568901
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(3-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1cccnc1C1CNCCN1
InChIInChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-12-9(8)7-6-10-4-5-11-7/h1-3,7,10-11H,4-6H2
InChIKeyZLENQQVPFHICSY-UHFFFAOYSA-N
XLogP0.22
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
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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Related Compounds

(2R)-2-(4-methyl-3-nitrophenyl)piperazine
CID 171194425
3-nitro-2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine
CID 97177793
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71635607
(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
CID 171193759
(2S)-2-(4-methyl-3-nitrophenyl)piperazine;hydrochloride
CID 171193790
2-pyridin-2-ylpiperazine;dihydrochloride
CID 21151674
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
(2S)-2-(5-chloro-2-nitrophenyl)piperazine;hydrochloride
CID 171193773
3-nitro-2-piperidin-3-ylsulfonylpyridine
CID 71635609

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-2-pyridinyl)piperazine?
The IUPAC name of 2-(3-nitro-2-pyridinyl)piperazine (CID 91568901) is 2-(3-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 2-(3-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 2-(3-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1cccnc1C1CNCCN1.
What is the InChIKey of 2-(3-nitro-2-pyridinyl)piperazine?
The InChIKey is ZLENQQVPFHICSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-12-9(8)7-6-10-4-5-11-7/h1-3,7,10-11H,4-6H2.
What are the key properties of 2-(3-nitro-2-pyridinyl)piperazine?
2-(3-nitro-2-pyridinyl)piperazine has a molecular weight of 208.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 91568901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).