ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate

C10H10N2O6 — CID 71081983

IUPACethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(\O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C10H10N2O6/c1-2-18-9(14)4-8(13)7-3-6(12(16)17)5-11-10(7)15/h3-5,13H,2H2,1H3,(H,11,15)/b8-4-
InChIKeyIIOIYVCYEWRHHI-YWEYNIOJSA-N
MW254.20 g/mol
LogP0.75
Rot. Bonds4

About ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate

ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate (PubChem CID 71081983) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
PubChem CID71081983
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Nameethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C(\O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C10H10N2O6/c1-2-18-9(14)4-8(13)7-3-6(12(16)17)5-11-10(7)15/h3-5,13H,2H2,1H3,(H,11,15)/b8-4-
InChIKeyIIOIYVCYEWRHHI-YWEYNIOJSA-N
XLogP0.75
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-(2-chloro-5-nitrophenyl)-3-hydroxyprop-2-enoate
CID 134125641
ethyl (Z)-3-(2-formyl-5-nitro-3-pyridinyl)-3-hydroxyprop-2-enoate
CID 126603400
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
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ethyl 2-(4-nitro-1H-pyrrol-2-yl)-2-oxoacetate
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N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
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2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
CID 83814946
3-methyl-3-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 64671123
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
(2S)-4-amino-2-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 63715717
diethyl 5-nitro-2H-isoindole-1,7-dicarboxylate
CID 10733417
ethyl 2,3-dimethyl-5-nitrobenzoate
CID 43448981

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate (CID 71081983) is ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate is CCOC(=O)/C=C(\O)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate?
The InChIKey is IIOIYVCYEWRHHI-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H10N2O6/c1-2-18-9(14)4-8(13)7-3-6(12(16)17)5-11-10(7)15/h3-5,13H,2H2,1H3,(H,11,15)/b8-4-.
What are the key properties of ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate?
ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate has a molecular weight of 254.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate is sourced from PubChem (CID 71081983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).