N-(4-nitro-3-pyridinyl)nitramide

C5H4N4O4 — CID 119087144

IUPACN-(4-nitro-3-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cnccc1[N+](=O)[O-]
InChIInChI=1S/C5H4N4O4/c10-8(11)5-1-2-6-3-4(5)7-9(12)13/h1-3,7H
InChIKeyVIBASRHYAJABLS-UHFFFAOYSA-N
MW184.11 g/mol
LogP0.59
Rot. Bonds3

About N-(4-nitro-3-pyridinyl)nitramide

N-(4-nitro-3-pyridinyl)nitramide (PubChem CID 119087144) has the molecular formula C5H4N4O4 and a molecular weight of 184.11 g/mol. Its IUPAC name is N-(4-nitro-3-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(4-nitro-3-pyridinyl)nitramide
PubChem CID119087144
Molecular FormulaC5H4N4O4
Molecular Weight184.11 g/mol
Exact Mass184.02
IUPAC NameN-(4-nitro-3-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cnccc1[N+](=O)[O-]
InChIInChI=1S/C5H4N4O4/c10-8(11)5-1-2-6-3-4(5)7-9(12)13/h1-3,7H
InChIKeyVIBASRHYAJABLS-UHFFFAOYSA-N
XLogP0.59
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 N-(4-nitro-3-pyridinyl)nitramide?
The IUPAC name of N-(4-nitro-3-pyridinyl)nitramide (CID 119087144) is N-(4-nitro-3-pyridinyl)nitramide.
What is the SMILES notation for N-(4-nitro-3-pyridinyl)nitramide?
The canonical SMILES for N-(4-nitro-3-pyridinyl)nitramide is O=[N+]([O-])Nc1cnccc1[N+](=O)[O-].
What is the InChIKey of N-(4-nitro-3-pyridinyl)nitramide?
The InChIKey is VIBASRHYAJABLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O4/c10-8(11)5-1-2-6-3-4(5)7-9(12)13/h1-3,7H.
What are the key properties of N-(4-nitro-3-pyridinyl)nitramide?
N-(4-nitro-3-pyridinyl)nitramide has a molecular weight of 184.11 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-3-pyridinyl)nitramide is sourced from PubChem (CID 119087144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).