3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide

C12H10N4O4 — CID 59588847

IUPAC3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccnc(N)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O4/c13-11-10(16(18)19)9(4-5-15-11)20-8-3-1-2-7(6-8)12(14)17/h1-6H,(H2,13,15)(H2,14,17)
InChIKeyYNKVXQRFIGJIKS-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.46
Rot. Bonds4

About 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide

3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide (PubChem CID 59588847) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide
PubChem CID59588847
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccnc(N)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O4/c13-11-10(16(18)19)9(4-5-15-11)20-8-3-1-2-7(6-8)12(14)17/h1-6H,(H2,13,15)(H2,14,17)
InChIKeyYNKVXQRFIGJIKS-UHFFFAOYSA-N
XLogP1.46
TPSA134.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide?
The IUPAC name of 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide (CID 59588847) is 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide.
What is the SMILES notation for 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide?
The canonical SMILES for 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide is NC(=O)c1cccc(Oc2ccnc(N)c2[N+](=O)[O-])c1.
What is the InChIKey of 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide?
The InChIKey is YNKVXQRFIGJIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c13-11-10(16(18)19)9(4-5-15-11)20-8-3-1-2-7(6-8)12(14)17/h1-6H,(H2,13,15)(H2,14,17).
What are the key properties of 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide?
3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide has a molecular weight of 274.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-nitro-4-pyridinyl)oxy]benzamide is sourced from PubChem (CID 59588847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).