N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide

C7H8N4O4 — CID 23349329

IUPACN-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide
SMILESCC(=O)N/N=c1\cc([N+](=O)[O-])ccn1O
InChIInChI=1S/C7H8N4O4/c1-5(12)8-9-7-4-6(11(14)15)2-3-10(7)13/h2-4,13H,1H3,(H,8,12)/b9-7+
InChIKeyCVNZZNCZVCIOMQ-VQHVLOKHSA-N
MW212.17 g/mol
LogP-0.41
Rot. Bonds2

About N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide

N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide (PubChem CID 23349329) has the molecular formula C7H8N4O4 and a molecular weight of 212.17 g/mol. Its IUPAC name is N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide
PubChem CID23349329
Molecular FormulaC7H8N4O4
Molecular Weight212.17 g/mol
Exact Mass212.05
IUPAC NameN-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide
SMILESCC(=O)N/N=c1\cc([N+](=O)[O-])ccn1O
InChIInChI=1S/C7H8N4O4/c1-5(12)8-9-7-4-6(11(14)15)2-3-10(7)13/h2-4,13H,1H3,(H,8,12)/b9-7+
InChIKeyCVNZZNCZVCIOMQ-VQHVLOKHSA-N
XLogP-0.41
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'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 N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide?
The IUPAC name of N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide (CID 23349329) is N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide.
What is the SMILES notation for N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide?
The canonical SMILES for N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide is CC(=O)N/N=c1\cc([N+](=O)[O-])ccn1O.
What is the InChIKey of N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide?
The InChIKey is CVNZZNCZVCIOMQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H8N4O4/c1-5(12)8-9-7-4-6(11(14)15)2-3-10(7)13/h2-4,13H,1H3,(H,8,12)/b9-7+.
What are the key properties of N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide?
N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide has a molecular weight of 212.17 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-hydroxy-4-nitro-2-pyridinylidene)amino]acetamide is sourced from PubChem (CID 23349329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).