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

C8H10N2O5 — CID 134278015

IUPAC1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one
SMILESCOC(CO)n1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H10N2O5/c1-15-7(5-11)9-4-2-3-6(8(9)12)10(13)14/h2-4,7,11H,5H2,1H3
InChIKeyBXIJDWSDTYPNOB-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.11
Rot. Bonds4

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

1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one (PubChem CID 134278015) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one
PubChem CID134278015
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one
SMILESCOC(CO)n1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C8H10N2O5/c1-15-7(5-11)9-4-2-3-6(8(9)12)10(13)14/h2-4,7,11H,5H2,1H3
InChIKeyBXIJDWSDTYPNOB-UHFFFAOYSA-N
XLogP-0.11
TPSA94.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
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

ethane;3-nitro-1-propan-2-ylpyridin-2-one
CID 142524003
2-(3-nitro-2-oxo-1-pyridinyl)butanoic acid
CID 57008515
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
methyl 4-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]benzoate
CID 71972031
3-amino-1-[(1R)-1-(4-fluorophenyl)ethyl]pyridin-2-one;1-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridin-2-one
CID 162174557
methyl 2-ethyl-4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoate
CID 77101395
ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
CID 62100471
1-[3-(tert-butylamino)-2-hydroxypropyl]-3-nitropyridin-2-one
CID 115475688
1-[2-(aminomethyl)prop-2-enyl]-3-nitropyridin-2-one
CID 103072256
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783
methyl 4-chloro-3-[(3-nitro-2-oxo-1-pyridinyl)methyl]benzoate
CID 75519039

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one?
The IUPAC name of 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one (CID 134278015) is 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one is COC(CO)n1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one?
The InChIKey is BXIJDWSDTYPNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-15-7(5-11)9-4-2-3-6(8(9)12)10(13)14/h2-4,7,11H,5H2,1H3.
What are the key properties of 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one?
1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one has a molecular weight of 214.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-methoxyethyl)-3-nitropyridin-2-one is sourced from PubChem (CID 134278015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).