methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate

C11H14FNO4 — CID 178166290

IUPACmethyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate
SMILESCCOCCn1cc(C(=O)OC)cc(F)c1=O
InChIInChI=1S/C11H14FNO4/c1-3-17-5-4-13-7-8(11(15)16-2)6-9(12)10(13)14/h6-7H,3-5H2,1-2H3
InChIKeyVVKGIXYTGOHYGJ-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.81
Rot. Bonds5

About methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate

methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate (PubChem CID 178166290) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate
PubChem CID178166290
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Namemethyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate
SMILESCCOCCn1cc(C(=O)OC)cc(F)c1=O
InChIInChI=1S/C11H14FNO4/c1-3-17-5-4-13-7-8(11(15)16-2)6-9(12)10(13)14/h6-7H,3-5H2,1-2H3
InChIKeyVVKGIXYTGOHYGJ-UHFFFAOYSA-N
XLogP0.81
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxylate
CID 178166126
1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 178166143
methyl 5-fluoro-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-6-oxopyridine-3-carboxylate
CID 167472218
methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate
CID 146261338
methyl 5-cyano-6-oxo-1-[2-(4-propoxyphenoxy)ethyl]pyridine-3-carboxylate
CID 55537711
methyl 1-[2-(2,3-difluorophenyl)ethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 75503023
2-ethoxyethyl 3,4,5-trifluorobenzoate
CID 63237218
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 1485992
methyl 4-butoxy-3,5-difluorobenzoate
CID 118685930
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 45487786
methyl 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667475

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate (CID 178166290) is methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate is CCOCCn1cc(C(=O)OC)cc(F)c1=O.
What is the InChIKey of methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate?
The InChIKey is VVKGIXYTGOHYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-3-17-5-4-13-7-8(11(15)16-2)6-9(12)10(13)14/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate?
methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate has a molecular weight of 243.23 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethoxyethyl)-5-fluoro-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 178166290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).