methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate

C10H8FNO5 — CID 144932423

IUPACmethyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c(F)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H8FNO5/c1-5-7(12(15)16)4-3-6(11)8(5)9(13)10(14)17-2/h3-4H,1-2H3
InChIKeyVZFJNOOIPWKCDA-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.40
Rot. Bonds3

About methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate

methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate (PubChem CID 144932423) has the molecular formula C10H8FNO5 and a molecular weight of 241.17 g/mol. Its IUPAC name is methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate
PubChem CID144932423
Molecular FormulaC10H8FNO5
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Namemethyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c(F)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H8FNO5/c1-5-7(12(15)16)4-3-6(11)8(5)9(13)10(14)17-2/h3-4H,1-2H3
InChIKeyVZFJNOOIPWKCDA-UHFFFAOYSA-N
XLogP1.40
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

2-chloro-1-(6-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 131480552
methyl 6-bromo-2-methyl-3-nitrobenzoate
CID 58919616
methyl 2-fluoro-3-methyl-4-nitrobenzoate
CID 90442178
methyl 2-acetyloxy-6-fluoro-3-nitrobenzoate
CID 134104150
6-fluoro-2-methyl-3-nitrobenzenethiol
CID 130849844
sodium 2-carboxy-3-methyl-4-nitrophenolate
CID 57376467
methyl 2,3-dimethyl-6-nitrobenzoate
CID 134648368
2,6-dimethyl-3-nitrobenzamide
CID 118992531
2,6-difluoro-3-nitrobenzamide
CID 2780101
methyl 4-fluoro-3-nitrobenzoate
CID 5219721
ethanol;methyl 3-amino-2,6-difluorobenzoate;methyl 2,6-difluoro-3-nitrobenzoate
CID 162127312
ethyl 2-[(2,6-difluoro-3-nitrobenzoyl)amino]propanoate
CID 79757786

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate?
The IUPAC name of methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate (CID 144932423) is methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate?
The canonical SMILES for methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate is COC(=O)C(=O)c1c(F)ccc([N+](=O)[O-])c1C.
What is the InChIKey of methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate?
The InChIKey is VZFJNOOIPWKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO5/c1-5-7(12(15)16)4-3-6(11)8(5)9(13)10(14)17-2/h3-4H,1-2H3.
What are the key properties of methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate?
methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate has a molecular weight of 241.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-2-methyl-3-nitrophenyl)-2-oxoacetate is sourced from PubChem (CID 144932423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).