ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate

C10H10F2N2O5 — CID 133103048

IUPACethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1[nH]c(C(F)F)cc(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H10F2N2O5/c1-2-19-8(16)4-5-9(14(17)18)7(15)3-6(13-5)10(11)12/h3,10H,2,4H2,1H3,(H,13,15)
InChIKeyWRWVEPKHOLRSEX-UHFFFAOYSA-N
MW276.20 g/mol
LogP1.33
Rot. Bonds5

About ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate

ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate (PubChem CID 133103048) has the molecular formula C10H10F2N2O5 and a molecular weight of 276.20 g/mol. Its IUPAC name is ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate
PubChem CID133103048
Molecular FormulaC10H10F2N2O5
Molecular Weight276.20 g/mol
Exact Mass276.06
IUPAC Nameethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1[nH]c(C(F)F)cc(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H10F2N2O5/c1-2-19-8(16)4-5-9(14(17)18)7(15)3-6(13-5)10(11)12/h3,10H,2,4H2,1H3,(H,13,15)
InChIKeyWRWVEPKHOLRSEX-UHFFFAOYSA-N
XLogP1.33
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 51.33
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'}

Analyze ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[5-(difluoromethyl)-6-nitro-2-oxo-1H-pyridin-3-yl]acetate
CID 133103191
ethyl 6-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-2-carboxylate
CID 133103099
ethyl 2-[5-nitro-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665425
ethyl 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133093415
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134661846
ethyl 2-[3-nitro-2-oxo-6-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134660296
ethyl 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetate
CID 133100905
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653
ethyl 2-[6-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetate
CID 133104681
ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133093261
ethyl 2-[3-(chloromethyl)-5-(difluoromethoxy)-2-nitrophenyl]acetate
CID 171019309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate (CID 133103048) is ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate is CCOC(=O)Cc1[nH]c(C(F)F)cc(=O)c1[N+](=O)[O-].
What is the InChIKey of ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is WRWVEPKHOLRSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O5/c1-2-19-8(16)4-5-9(14(17)18)7(15)3-6(13-5)10(11)12/h3,10H,2,4H2,1H3,(H,13,15).
What are the key properties of ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate?
ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate has a molecular weight of 276.20 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(difluoromethyl)-3-nitro-4-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 133103048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).