methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate

C10H11FN2O4 — CID 70374330

IUPACmethyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate
SMILESCNC(C(=O)OC)C(=O)c1c[nH]c(=O)c(F)c1
InChIInChI=1S/C10H11FN2O4/c1-12-7(10(16)17-2)8(14)5-3-6(11)9(15)13-4-5/h3-4,7,12H,1-2H3,(H,13,15)
InChIKeyQRTGYRCIULEQHS-UHFFFAOYSA-N
MW242.21 g/mol
LogP-0.54
Rot. Bonds4

About methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate

methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate (PubChem CID 70374330) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate
PubChem CID70374330
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Namemethyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate
SMILESCNC(C(=O)OC)C(=O)c1c[nH]c(=O)c(F)c1
InChIInChI=1S/C10H11FN2O4/c1-12-7(10(16)17-2)8(14)5-3-6(11)9(15)13-4-5/h3-4,7,12H,1-2H3,(H,13,15)
InChIKeyQRTGYRCIULEQHS-UHFFFAOYSA-N
XLogP-0.54
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate?
The IUPAC name of methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate (CID 70374330) is methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate?
The canonical SMILES for methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate is CNC(C(=O)OC)C(=O)c1c[nH]c(=O)c(F)c1.
What is the InChIKey of methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate?
The InChIKey is QRTGYRCIULEQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-12-7(10(16)17-2)8(14)5-3-6(11)9(15)13-4-5/h3-4,7,12H,1-2H3,(H,13,15).
What are the key properties of methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate?
methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate has a molecular weight of 242.21 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-6-oxo-1H-pyridin-3-yl)-2-(methylamino)-3-oxopropanoate is sourced from PubChem (CID 70374330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).