1-(6-nitro-2-pyridinyl)piperazine;hydrochloride

C9H13ClN4O2 — CID 139269965

IUPAC1-(6-nitro-2-pyridinyl)piperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H12N4O2.ClH/c14-13(15)9-3-1-2-8(11-9)12-6-4-10-5-7-12;/h1-3,10H,4-7H2;1H
InChIKeyQQGLECYVUPNFFR-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.82
Rot. Bonds2

About 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride

1-(6-nitro-2-pyridinyl)piperazine;hydrochloride (PubChem CID 139269965) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(6-nitro-2-pyridinyl)piperazine;hydrochloride
PubChem CID139269965
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name1-(6-nitro-2-pyridinyl)piperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H12N4O2.ClH/c14-13(15)9-3-1-2-8(11-9)12-6-4-10-5-7-12;/h1-3,10H,4-7H2;1H
InChIKeyQQGLECYVUPNFFR-UHFFFAOYSA-N
XLogP0.82
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.82
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-(6-nitro-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride (CID 139269965) is 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride is Cl.O=[N+]([O-])c1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is QQGLECYVUPNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2.ClH/c14-13(15)9-3-1-2-8(11-9)12-6-4-10-5-7-12;/h1-3,10H,4-7H2;1H.
What are the key properties of 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride?
1-(6-nitro-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitro-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 139269965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).