ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate

C10H12N2O5 — CID 62100471

IUPACethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C10H12N2O5/c1-2-17-9(13)5-7-11-6-3-4-8(10(11)14)12(15)16/h3-4,6H,2,5,7H2,1H3
InChIKeyUVNPZYOOSOTCKX-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.71
Rot. Bonds5

About ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate

ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate (PubChem CID 62100471) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
PubChem CID62100471
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Nameethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C10H12N2O5/c1-2-17-9(13)5-7-11-6-3-4-8(10(11)14)12(15)16/h3-4,6H,2,5,7H2,1H3
InChIKeyUVNPZYOOSOTCKX-UHFFFAOYSA-N
XLogP0.71
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
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

ethyl 3-(7-nitroindol-1-yl)propanoate
CID 114935544
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
methyl 4-[2-(3-nitro-2-oxo-1-pyridinyl)ethyl]benzoate
CID 71972031
ethyl 2-(1,4-dimethyl-7-nitro-2,3-dioxoquinoxalin-6-yl)sulfanylacetate
CID 28588158
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-methylpropyl)-3-nitropyridin-2-one
CID 90225152
5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
CID 80733848
1-[2-(aminomethyl)prop-2-enyl]-3-nitropyridin-2-one
CID 103072256
ethyl 3-(2-amino-6-nitrophenyl)propanoate;hydrochloride
CID 174372972
ethyl 3-[methyl-[(2-nitrophenyl)methyl]amino]propanoate
CID 61372410
ethyl 4-[4-(2-nitrophenyl)phenyl]-4-oxobutanoate
CID 54507629

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate (CID 62100471) is ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate is CCOC(=O)CCn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate?
The InChIKey is UVNPZYOOSOTCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-2-17-9(13)5-7-11-6-3-4-8(10(11)14)12(15)16/h3-4,6H,2,5,7H2,1H3.
What are the key properties of ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate?
ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate has a molecular weight of 240.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-nitro-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 62100471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).