ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate

C10H12FNO4 — CID 91567875

IUPACethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate
SMILESCCOC(=O)C1C(=O)C(F)=C(C)N(C)C1=O
InChIInChI=1S/C10H12FNO4/c1-4-16-10(15)6-8(13)7(11)5(2)12(3)9(6)14/h6H,4H2,1-3H3
InChIKeyFOJLMJLKDTYLAG-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.41
Rot. Bonds2

About ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate

ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate (PubChem CID 91567875) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate
PubChem CID91567875
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Nameethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate
SMILESCCOC(=O)C1C(=O)C(F)=C(C)N(C)C1=O
InChIInChI=1S/C10H12FNO4/c1-4-16-10(15)6-8(13)7(11)5(2)12(3)9(6)14/h6H,4H2,1-3H3
InChIKeyFOJLMJLKDTYLAG-UHFFFAOYSA-N
XLogP0.41
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate (CID 91567875) is ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate is CCOC(=O)C1C(=O)C(F)=C(C)N(C)C1=O.
What is the InChIKey of ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate?
The InChIKey is FOJLMJLKDTYLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-4-16-10(15)6-8(13)7(11)5(2)12(3)9(6)14/h6H,4H2,1-3H3.
What are the key properties of ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate?
ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate has a molecular weight of 229.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-1,6-dimethyl-2,4-dioxopyridine-3-carboxylate is sourced from PubChem (CID 91567875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).