N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide

C13H10N4O6 — CID 110496018

IUPACN-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H10N4O6/c18-11-6-9(16(20)21)7-14-13(11)15-12(19)5-8-3-1-2-4-10(8)17(22)23/h1-4,6-7,18H,5H2,(H,14,15,19)
InChIKeyNRDBGSQEVKFXLI-UHFFFAOYSA-N
MW318.25 g/mol
LogP1.78
Rot. Bonds5

About N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide

N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide (PubChem CID 110496018) has the molecular formula C13H10N4O6 and a molecular weight of 318.25 g/mol. Its IUPAC name is N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
PubChem CID110496018
Molecular FormulaC13H10N4O6
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC NameN-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H10N4O6/c18-11-6-9(16(20)21)7-14-13(11)15-12(19)5-8-3-1-2-4-10(8)17(22)23/h1-4,6-7,18H,5H2,(H,14,15,19)
InChIKeyNRDBGSQEVKFXLI-UHFFFAOYSA-N
XLogP1.78
TPSA148.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide (CID 110496018) is N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ncc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is NRDBGSQEVKFXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O6/c18-11-6-9(16(20)21)7-14-13(11)15-12(19)5-8-3-1-2-4-10(8)17(22)23/h1-4,6-7,18H,5H2,(H,14,15,19).
What are the key properties of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide?
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 318.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 110496018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).