1-(4-nitrophenoxy)pyridin-2-one

C11H8N2O4 — CID 71440997

IUPAC1-(4-nitrophenoxy)pyridin-2-one
SMILESO=c1ccccn1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O4/c14-11-3-1-2-8-12(11)17-10-6-4-9(5-7-10)13(15)16/h1-8H
InChIKeyVMCUWAMQNYYJOW-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.60
Rot. Bonds3

About 1-(4-nitrophenoxy)pyridin-2-one

1-(4-nitrophenoxy)pyridin-2-one (PubChem CID 71440997) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(4-nitrophenoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(4-nitrophenoxy)pyridin-2-one
PubChem CID71440997
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1-(4-nitrophenoxy)pyridin-2-one
SMILESO=c1ccccn1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O4/c14-11-3-1-2-8-12(11)17-10-6-4-9(5-7-10)13(15)16/h1-8H
InChIKeyVMCUWAMQNYYJOW-UHFFFAOYSA-N
XLogP1.60
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[1-(4-nitrophenoxy)butyl]pyridin-2-one
CID 139658505
1-[2-(4-nitrophenyl)ethyl]pyridin-2-one
CID 116618476
2-[(4-nitrophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210428
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
3-[2-(4-nitrophenoxy)ethoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 167893657
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
CID 153008841
CID 153008841
1-methyl-5-nitroazonine
CID 144831844
(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate
CID 58748201
CID 174729651
CID 174729651
1-benzhydryloxy-4-nitrobenzene
CID 7434051
azane;nitrobenzene
CID 23197461

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenoxy)pyridin-2-one?
The IUPAC name of 1-(4-nitrophenoxy)pyridin-2-one (CID 71440997) is 1-(4-nitrophenoxy)pyridin-2-one.
What is the SMILES notation for 1-(4-nitrophenoxy)pyridin-2-one?
The canonical SMILES for 1-(4-nitrophenoxy)pyridin-2-one is O=c1ccccn1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenoxy)pyridin-2-one?
The InChIKey is VMCUWAMQNYYJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-11-3-1-2-8-12(11)17-10-6-4-9(5-7-10)13(15)16/h1-8H.
What are the key properties of 1-(4-nitrophenoxy)pyridin-2-one?
1-(4-nitrophenoxy)pyridin-2-one has a molecular weight of 232.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenoxy)pyridin-2-one is sourced from PubChem (CID 71440997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).