(Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium

C9H11N5O4 — CID 10562814

IUPAC(Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium
SMILESO=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCC2)nc1
InChIInChI=1S/C9H11N5O4/c15-13(16)8-3-4-9(10-7-8)18-11-14(17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2/b14-11-
InChIKeyQPTYRRJOJXZMPN-KAMYIIQDSA-N
MW253.22 g/mol
LogP1.26
Rot. Bonds4

About (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium

(Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium (PubChem CID 10562814) has the molecular formula C9H11N5O4 and a molecular weight of 253.22 g/mol. Its IUPAC name is (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium.

Molecular Properties

Compound Name(Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium
PubChem CID10562814
Molecular FormulaC9H11N5O4
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC Name(Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium
SMILESO=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCC2)nc1
InChIInChI=1S/C9H11N5O4/c15-13(16)8-3-4-9(10-7-8)18-11-14(17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2/b14-11-
InChIKeyQPTYRRJOJXZMPN-KAMYIIQDSA-N
XLogP1.26
TPSA106.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-(2-chloropyrimidin-4-yl)oxyimino-oxido-pyrrolidin-1-ylazanium
CID 10800295
2-(2-azidoethoxy)-5-nitropyridine
CID 59667929
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
tert-butyl (2S)-2-[(5-nitro-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 97173566
tert-butyl (2R)-2-[2-[(5-nitro-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97173308
N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634307
3-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 79465633
tert-butyl (2S)-2-[(5-nitro-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172835
2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
CID 20535520
(Z)-(4,4-dimethylpiperazin-4-ium-1-yl)-(2,4-dinitrophenoxy)imino-oxidoazanium iodide
CID 45273090
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate
CID 177458218

Frequently Asked Questions

What is the IUPAC name of (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium?
The IUPAC name of (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium (CID 10562814) is (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium.
What is the SMILES notation for (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium?
The canonical SMILES for (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium is O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCC2)nc1.
What is the InChIKey of (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium?
The InChIKey is QPTYRRJOJXZMPN-KAMYIIQDSA-N. The full InChI is InChI=1S/C9H11N5O4/c15-13(16)8-3-4-9(10-7-8)18-11-14(17)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2/b14-11-.
What are the key properties of (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium?
(Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium has a molecular weight of 253.22 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(5-nitro-2-pyridinyl)oxyimino-oxido-pyrrolidin-1-ylazanium is sourced from PubChem (CID 10562814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).