1-(2-methoxyethyl)-3-nitropyridin-2-one

C8H10N2O4 — CID 89012682

IUPAC1-(2-methoxyethyl)-3-nitropyridin-2-one
SMILESCOCCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H10N2O4/c1-14-6-5-9-4-2-3-7(8(9)11)10(12)13/h2-4H,5-6H2,1H3
InChIKeyNHZMZBMTJJAWCA-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.40
Rot. Bonds4

About 1-(2-methoxyethyl)-3-nitropyridin-2-one

1-(2-methoxyethyl)-3-nitropyridin-2-one (PubChem CID 89012682) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-nitropyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-nitropyridin-2-one
PubChem CID89012682
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-(2-methoxyethyl)-3-nitropyridin-2-one
SMILESCOCCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H10N2O4/c1-14-6-5-9-4-2-3-7(8(9)11)10(12)13/h2-4H,5-6H2,1H3
InChIKeyNHZMZBMTJJAWCA-UHFFFAOYSA-N
XLogP0.40
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.40
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-(2-methoxyethyl)-2-nitropyrrole
CID 174853485
ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
CID 62100471
methyl 4-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]benzoate
CID 71972031
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
3-(3-nitro-2-oxo-1-pyridinyl)propane-1-sulfonamide
CID 138585557
methyl 2-ethyl-4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoate
CID 77101395
1-(2-methoxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139373358
1-[2-(aminomethyl)prop-2-enyl]-3-nitropyridin-2-one
CID 103072256
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
1-(2-methoxyethyl)-4-nitroindole-3-carboxylic acid
CID 67255308
1-[3-(2-methoxyethoxy)propyl]-7-nitroindole
CID 103413364
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-nitropyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-nitropyridin-2-one (CID 89012682) is 1-(2-methoxyethyl)-3-nitropyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-nitropyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-nitropyridin-2-one is COCCn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-nitropyridin-2-one?
The InChIKey is NHZMZBMTJJAWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-14-6-5-9-4-2-3-7(8(9)11)10(12)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-nitropyridin-2-one?
1-(2-methoxyethyl)-3-nitropyridin-2-one has a molecular weight of 198.18 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-nitropyridin-2-one is sourced from PubChem (CID 89012682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).