4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one

C14H14N2O4 — CID 75484382

IUPAC4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one
SMILESCc1ccn(CCOc2cccc([N+](=O)[O-])c2)c(=O)c1
InChIInChI=1S/C14H14N2O4/c1-11-5-6-15(14(17)9-11)7-8-20-13-4-2-3-12(10-13)16(18)19/h2-6,9-10H,7-8H2,1H3
InChIKeyQYDMSYBEHZDSFE-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.14
Rot. Bonds5

About 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one

4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one (PubChem CID 75484382) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one
PubChem CID75484382
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one
SMILESCc1ccn(CCOc2cccc([N+](=O)[O-])c2)c(=O)c1
InChIInChI=1S/C14H14N2O4/c1-11-5-6-15(14(17)9-11)7-8-20-13-4-2-3-12(10-13)16(18)19/h2-6,9-10H,7-8H2,1H3
InChIKeyQYDMSYBEHZDSFE-UHFFFAOYSA-N
XLogP2.14
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.14
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

[3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid
CID 62962131
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CID 606509
3,6-dimethyl-1-[3-(3-nitrophenoxy)propyl]pyrimidine-2,4-dione
CID 3644908
1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine;hydrochloride
CID 2993253
4-(3-nitrophenoxy)butan-2-one
CID 60693072
1-nitro-3-octoxybenzene
CID 3442932
1-nitro-3-pent-4-enoxybenzene
CID 11183362
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
1-(2-ethylsulfanylethoxy)-3-nitrobenzene
CID 60542074
4-methyl-3-(3-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole
CID 78883251
2,7-dimethyl-N-[2-(3-nitrophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134154995
1-[2-(3-methylphenoxy)ethyl]-3-(4-nitrophenyl)-1,2,4-triazole
CID 60617632

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one (CID 75484382) is 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one is Cc1ccn(CCOc2cccc([N+](=O)[O-])c2)c(=O)c1.
What is the InChIKey of 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one?
The InChIKey is QYDMSYBEHZDSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-11-5-6-15(14(17)9-11)7-8-20-13-4-2-3-12(10-13)16(18)19/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one?
4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one has a molecular weight of 274.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 75484382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).