N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C9H11N3O5 — CID 43509914

IUPACN-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCCO
InChIInChI=1S/C9H11N3O5/c13-5-4-10-8(14)6-17-7-2-1-3-11-9(7)12(15)16/h1-3,13H,4-6H2,(H,10,14)
InChIKeyVOPVPONKDMJCBD-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.52
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 43509914) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID43509914
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC NameN-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCCO
InChIInChI=1S/C9H11N3O5/c13-5-4-10-8(14)6-17-7-2-1-3-11-9(7)12(15)16/h1-3,13H,4-6H2,(H,10,14)
InChIKeyVOPVPONKDMJCBD-UHFFFAOYSA-N
XLogP-0.52
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.52
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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Related Compounds

N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
N-[2-(4-bromophenyl)sulfanylethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8649380
N-[(2-fluorophenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8650969
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815
N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 8651047
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 78745371

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 43509914) is N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is O=C(COc1cccnc1[N+](=O)[O-])NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is VOPVPONKDMJCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-5-4-10-8(14)6-17-7-2-1-3-11-9(7)12(15)16/h1-3,13H,4-6H2,(H,10,14).
What are the key properties of N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 241.20 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 43509914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).