1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one

C13H11ClN2O4 — CID 78917327

IUPAC1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O4/c14-10-4-5-11(16(18)19)12(9-10)20-8-7-15-6-2-1-3-13(15)17/h1-6,9H,7-8H2
InChIKeyFXMXMNIBTYCXBI-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one

1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one (PubChem CID 78917327) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one
PubChem CID78917327
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O4/c14-10-4-5-11(16(18)19)12(9-10)20-8-7-15-6-2-1-3-13(15)17/h1-6,9H,7-8H2
InChIKeyFXMXMNIBTYCXBI-UHFFFAOYSA-N
XLogP2.49
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.49
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

4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
CID 78976905
1-[2-(5-chloro-2-nitrophenoxy)ethyl]-4-methylpiperazine
CID 82891988
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898441
9-(5-chloro-2-nitrophenoxy)nonane-1-thiol
CID 105344440
3-chloro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenesulfonyl chloride
CID 82911095
4-(5-chloro-2-nitrophenoxy)butan-2-one
CID 62306218
2-(2-oxo-1-pyridinyl)ethyl 5-methyl-2-nitrobenzoate
CID 71988169
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
4-chloro-2-[2-(2-methylpropoxy)ethoxy]-1-nitrobenzene
CID 106459961
N-[2-(5-chloro-2-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 55057809
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one (CID 78917327) is 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one is O=c1ccccn1CCOc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one?
The InChIKey is FXMXMNIBTYCXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c14-10-4-5-11(16(18)19)12(9-10)20-8-7-15-6-2-1-3-13(15)17/h1-6,9H,7-8H2.
What are the key properties of 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one?
1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one has a molecular weight of 294.69 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 78917327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).