methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate

C8H8N2O5 — CID 133097126

IUPACmethyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)cc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H8N2O5/c1-15-8(12)3-5-2-6(11)4-7(9-5)10(13)14/h2,4H,3H2,1H3,(H,9,11)
InChIKeyIUEXJZZEJFHJGH-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.00
Rot. Bonds3

About methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate

methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate (PubChem CID 133097126) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate
PubChem CID133097126
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Namemethyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate
SMILESCOC(=O)Cc1cc(=O)cc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H8N2O5/c1-15-8(12)3-5-2-6(11)4-7(9-5)10(13)14/h2,4H,3H2,1H3,(H,9,11)
InChIKeyIUEXJZZEJFHJGH-UHFFFAOYSA-N
XLogP-0.00
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
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

methyl 2-[5-(difluoromethyl)-4-nitro-6-oxo-1H-pyridin-2-yl]acetate
CID 133102659
methyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetate
CID 7063826
2-bromo-6-nitro-1H-pyridin-4-one
CID 119003223
methyl 2-[2-(4-nitrophenyl)-3-oxo-1H-pyrazol-5-yl]acetate
CID 711806
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
methyl 2-[5-(difluoromethyl)-4-iodo-6-oxo-1H-pyridin-2-yl]acetate
CID 133103677
methyl 2-(4-hydroxy-3,5-dinitrophenyl)acetate
CID 22938302
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
CID 39234899
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
methyl 2-(2,6-dichloro-3-nitro-4-pyridinyl)acetate
CID 87452513
methyl 2-(2-methyl-4-nitrophenyl)acetate
CID 10081813

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate?
The IUPAC name of methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate (CID 133097126) is methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate?
The canonical SMILES for methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate is COC(=O)Cc1cc(=O)cc([N+](=O)[O-])[nH]1.
What is the InChIKey of methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate?
The InChIKey is IUEXJZZEJFHJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-15-8(12)3-5-2-6(11)4-7(9-5)10(13)14/h2,4H,3H2,1H3,(H,9,11).
What are the key properties of methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate?
methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate has a molecular weight of 212.16 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate is sourced from PubChem (CID 133097126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).